N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(2-ethenylpyrrolidin-1-yl)pyridin-2-yl]-N-methylpropane-2-sulfonamide

Update Time: 2025-04-25 16:33:36

	Common Name	N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(2-ethenylpyrrolidin-1-yl)pyridin-2-yl]-N-methylpropane-2-sulfonamide	English Name	N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(2-ethenylpyrrolidin-1-yl)pyridin-2-yl]-N-methylpropane-2-sulfonamide
	CAS NO.	N/A	Molecular Weight	510.7
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₆H₃₄N₆O₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(2-ethenylpyrrolidin-1-yl)pyridin-2-yl]-N-methylpropane-2-sulfonamide

Molecular Formula	C26H34N6O3S
Molecular Weight	510.7
Exact Mass	510.24131014
LogP	3.30
Standard SMILES	C=CC1CCCN1c1cc(-c2nnc(C(C)(N)Cc3ccccc3)o2)cc(N(C)S(=O)(=O)C(C)C)n1
Canonical SMILES	CC(C)S(=O)(=O)N(C)C1=CC(=CC(=N1)N2CCCC2C=C)C3=NN=C(O3)C(C)(CC4=CC=CC=C4)N
Isomeric SMILES	CC(C)S(=O)(=O)N(C)C1=CC(=CC(=N1)N2CCCC2C=C)C3=NN=C(O3)[C@@](C)(CC4=CC=CC=C4)N
Standard InChI Identifier	InChI=1S/C26H34N6O3S/c1-6-21-13-10-14-32(21)23-16-20(15-22(28-23)31(5)36(33,34)18(2)3)24-29-30-25(35-24)26(4,27)17-19-11-8-7-9-12-19/h6-9,11-12,15-16,18,21H,1,10,13-14,17,27H2,2-5H3/t21?,26-/m1/s1
Standard InChI Key	QXHAYLABNMAMLF-ZTDHTWSHSA-N
Compound Complexity	845.00
computational chemistry	Hydrogen Bond Acceptor Count：9 Hydrogen Bond Donor Count：1 Rotatable Bond Count：9 Heavy Atom Count：36 Total Chiral Atom Count：2 Defined Chiral Atom Count：1 Undefined Chiral Atom Count：1 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：510.24131014