N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide

Update Time: 2025-04-25 16:51:01

	Common Name	N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide	English Name	N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide
	CAS NO.	N/A	Molecular Weight	490.7
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₉H₃₄N₂O₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide

Molecular Formula	C29H34N2O3S
Molecular Weight	490.7
Exact Mass	490.22901412
LogP	4.40
Standard SMILES	COCCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)C(=O)C1CC1c1ccccc1
Canonical SMILES	CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(CCCOC)C(=O)C3CC3C4=CC=CC=C4
Isomeric SMILES	CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(CCCOC)C(=O)C3CC3C4=CC=CC=C4
Standard InChI Identifier	InChI=1S/C29H34N2O3S/c1-22-14-15-25(35-22)20-31(19-23-10-5-3-6-11-23)28(32)21-30(16-9-17-34-2)29(33)27-18-26(27)24-12-7-4-8-13-24/h3-8,10-15,26-27H,9,16-21H2,1-2H3
Standard InChI Key	HUZOUDYZZRAUFE-UHFFFAOYSA-N
Compound Complexity	677.00
computational chemistry	Hydrogen Bond Acceptor Count：4 Hydrogen Bond Donor Count：0 Rotatable Bond Count：12 Heavy Atom Count：35 Total Chiral Atom Count：2 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：2 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：490.22901412