ethyl 2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
ethyl 2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8009-5400 |
| Compound Name: | ethyl 2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate |
| Molecular Weight: | 481.61 |
| Molecular Formula: | C27 H31 N O5 S |
| Smiles: | CCOC(c1c2CCCCCCCCCCc2sc1NC(C1=Cc2ccccc2OC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9719 |
| logD: | 2.0293 |
| logSw: | -5.8222 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.051 |
| InChI Key: | GZVYDLULIRKVOG-UHFFFAOYSA-N |