methyl 2-[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}carbamothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}carbamothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}carbamothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8016-0427 |
| Compound Name: | methyl 2-[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}carbamothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 507.03 |
| Molecular Formula: | C22 H23 Cl N4 O4 S2 |
| Smiles: | COC(c1c2CCCCCCc2sc1NC(NC(c1ccc(Cn2cc(cn2)[Cl])o1)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2553 |
| logD: | 3.423 |
| logSw: | -5.9278 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.807 |
| InChI Key: | RFUBPIGDUJMQBX-UHFFFAOYSA-N |