2,4-dichloro-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]benzamide
Chemical Structure Depiction of
2,4-dichloro-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]benzamide
2,4-dichloro-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]benzamide
Compound characteristics
| Compound ID: | 3368-0211 |
| Compound Name: | 2,4-dichloro-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]benzamide |
| Molecular Weight: | 438.4 |
| Molecular Formula: | C19 H17 Cl2 N3 O S2 |
| Smiles: | C1CCCc2c(CC1)c(C#N)c(NC(NC(c1ccc(cc1[Cl])[Cl])=O)=S)s2 |
| Stereo: | ACHIRAL |
| logP: | 6.2915 |
| logD: | 4.5671 |
| logSw: | -6.5015 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.342 |
| InChI Key: | NBCRYYQWNYKOHB-UHFFFAOYSA-N |