2-{[(2-bromobenzoyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Chemical Structure Depiction of
2-{[(2-bromobenzoyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
2-{[(2-bromobenzoyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | 8012-5008 |
| Compound Name: | 2-{[(2-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(c1ccccc1[Br])=O)=S)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.7425 |
| logD: | 2.9838 |
| logSw: | -4.4163 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 67.345 |
| InChI Key: | SJQXUHDHXFPVQN-UHFFFAOYSA-N |