4-bromo-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]benzamide
Chemical Structure Depiction of
4-bromo-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]benzamide
4-bromo-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]benzamide
Compound characteristics
| Compound ID: | 3368-0212 |
| Compound Name: | 4-bromo-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]benzamide |
| Molecular Weight: | 448.4 |
| Molecular Formula: | C19 H18 Br N3 O S2 |
| Smiles: | C1CCCc2c(CC1)c(C#N)c(NC(NC(c1ccc(cc1)[Br])=O)=S)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.9499 |
| logD: | 5.1061 |
| logSw: | -5.853 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.342 |
| InChI Key: | YYSLMVJUEUZWBL-UHFFFAOYSA-N |