methyl 2-[(9H-xanthene-9-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(9H-xanthene-9-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-[(9H-xanthene-9-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6049-1446 |
| Compound Name: | methyl 2-[(9H-xanthene-9-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C26 H25 N O4 S |
| Smiles: | COC(c1c2CCCCCCc2sc1NC(C1c2ccccc2Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9697 |
| logD: | -0.5008 |
| logSw: | -5.594 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.363 |
| InChI Key: | MJDVIYHOXLBGME-UHFFFAOYSA-N |