methyl 2-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8014-9149 |
| Compound Name: | methyl 2-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 455 |
| Molecular Formula: | C19 H23 Cl N4 O3 S2 |
| Smiles: | Cc1c(c(C(NC(Nc2c(C(=O)OC)c3CCCCCCc3s2)=S)=O)n(C)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3889 |
| logD: | 2.2827 |
| logSw: | -4.9363 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.328 |
| InChI Key: | WCPUPKBTECJLHE-UHFFFAOYSA-N |