CBMicro_049177 structure

CBMicro_049177

propan-2-yl 2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Also Known As: CBMicro_049177|Oprea1_523518|BIM-0049011.P001|AK-968/11992818|isopropyl 2-{[(4-methoxyphenyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|propan-2-yl 2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|isopropyl 2-(2-(4-methoxyphenyl)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|propan-2-yl 2-[2-(4-methoxyphenyl)acetamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate|propan-2-yl 2-{[(4-methoxyphenyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

CAS: 419557-87-2
Molecular Formula C22H27NO4S
Molecular Weight 401.16608 g/mol
LogP 4.772
Topological Polar Surface Area 64.63 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 6
Exact Mass 401.16608
Monoisotopic Mass 401.16608
Heavy Atoms 28
Complexity 838.9668

Chemical Identifiers

CAS Number 419557-87-2
SMILES CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CC3=CC=C(C=C3)OC

Product Overview

CBMicro_049177 (CAS 419557-87-2), with molecular formula C22H27NO4S and molecular weight 401.16608 g/mol. IUPAC: propan-2-yl 2-[[2-(4-methoxyphenyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.

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