2-(2-methyl-3-nitrobenzamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Chemical Structure Depiction of
2-(2-methyl-3-nitrobenzamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
2-(2-methyl-3-nitrobenzamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y203-8642 |
| Compound Name: | 2-(2-methyl-3-nitrobenzamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C19 H21 N3 O4 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(Nc1c(C(N)=O)c2CCCCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.227 |
| logD: | -0.0137 |
| logSw: | -4.0027 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.515 |
| InChI Key: | PFJYRWCYBHNTEC-UHFFFAOYSA-N |