AC1NXBQO

ethyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Also Known As: F0817-0373|ethyl 2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate|(E)-ethyl 2-(3-(3-nitrophenyl)acrylamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Molecular Formula	C21H22N2O5S
Molecular Weight	414.12494 g/mol
LogP	4.7538
Topological Polar Surface Area	98.54 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	414.12494
Monoisotopic Mass	414.12494
Heavy Atoms	29
Complexity	963.9762

Chemical Identifiers

CAS Number	397290-66-3
SMILES	CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]