2-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Chemical Structure Depiction of
2-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
2-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | 3368-0221 |
| Compound Name: | 2-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide |
| Molecular Weight: | 435.99 |
| Molecular Formula: | C20 H22 Cl N3 O2 S2 |
| Smiles: | C1CCCc2c(CC1)c(C(N)=O)c(NC(NC(Cc1ccc(cc1)[Cl])=O)=S)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.5958 |
| logD: | 2.6604 |
| logSw: | -4.4154 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 67.131 |
| InChI Key: | PQDBAQSSQSTMSY-UHFFFAOYSA-N |