2-{[(4-bromobenzoyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Chemical Structure Depiction of
2-{[(4-bromobenzoyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
2-{[(4-bromobenzoyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | 3368-0229 |
| Compound Name: | 2-{[(4-bromobenzoyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide |
| Molecular Weight: | 466.42 |
| Molecular Formula: | C19 H20 Br N3 O2 S2 |
| Smiles: | C1CCCc2c(CC1)c(C(N)=O)c(NC(NC(c1ccc(cc1)[Br])=O)=S)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.2671 |
| logD: | 4.0783 |
| logSw: | -4.6154 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 67.345 |
| InChI Key: | YUEJXSPMXXLRSJ-UHFFFAOYSA-N |