methyl 2-{[(1-methyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(1-methyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-{[(1-methyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8015-6888 |
| Compound Name: | methyl 2-{[(1-methyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 406.52 |
| Molecular Formula: | C18 H22 N4 O3 S2 |
| Smiles: | Cn1c(ccn1)C(NC(Nc1c(C(=O)OC)c2CCCCCCc2s1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5681 |
| logD: | 2.376 |
| logSw: | -4.102 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.11 |
| InChI Key: | QBIJRCKYLOVFJF-UHFFFAOYSA-N |