2-{[(4-methoxybenzoyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Chemical Structure Depiction of
2-{[(4-methoxybenzoyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
2-{[(4-methoxybenzoyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | 3368-0231 |
| Compound Name: | 2-{[(4-methoxybenzoyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide |
| Molecular Weight: | 417.55 |
| Molecular Formula: | C20 H23 N3 O3 S2 |
| Smiles: | COc1ccc(cc1)C(NC(Nc1c(C(N)=O)c2CCCCCCc2s1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4156 |
| logD: | 3.2268 |
| logSw: | -4.0083 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 74.888 |
| InChI Key: | MNNTUYPSDPBFME-UHFFFAOYSA-N |