(2S)-N-(1,3-thiazol-2-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

Update Time: 2025-04-25 17:03:18

	Common Name	(2S)-N-(1,3-thiazol-2-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide	English Name	(2S)-N-(1,3-thiazol-2-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
	CAS NO.	N/A	Molecular Weight	394.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₂H₂₆N₄OS	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	(2S)-N-(1,3-thiazol-2-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

Molecular Formula	C22H26N4OS
Molecular Weight	394.5
Exact Mass	394.18273264
LogP	3.20
Standard SMILES	Cc1nn(C)c(C)c1CN(Cc1nccs1)C(=O)C1CCc2ccccc2C1
Canonical SMILES	CC1=C(C(=NN1C)C)CN(CC2=NC=CS2)C(=O)C3CCC4=CC=CC=C4C3
Isomeric SMILES	CC1=C(C(=NN1C)C)CN(CC2=NC=CS2)C(=O)[C@H]3CCC4=CC=CC=C4C3
Standard InChI Identifier	InChI=1S/C22H26N4OS/c1-15-20(16(2)25(3)24-15)13-26(14-21-23-10-11-28-21)22(27)19-9-8-17-6-4-5-7-18(17)12-19/h4-7,10-11,19H,8-9,12-14H2,1-3H3/t19-/m0/s1
Standard InChI Key	MZFYSOYAVYCZNV-IBGZPJMESA-N
Compound Complexity	547.00
computational chemistry	Hydrogen Bond Acceptor Count：4 Hydrogen Bond Donor Count：0 Rotatable Bond Count：5 Heavy Atom Count：28 Total Chiral Atom Count：1 Defined Chiral Atom Count：1 Undefined Chiral Atom Count：0 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：394.18273264