ethyl 2-{[(4-bromo-1-methyl-1H-pyrazole-3-carbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4-bromo-1-methyl-1H-pyrazole-3-carbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
ethyl 2-{[(4-bromo-1-methyl-1H-pyrazole-3-carbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8016-8689 |
| Compound Name: | ethyl 2-{[(4-bromo-1-methyl-1H-pyrazole-3-carbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 499.45 |
| Molecular Formula: | C19 H23 Br N4 O3 S2 |
| Smiles: | CCOC(c1c2CCCCCCc2sc1NC(NC(c1c(cn(C)n1)[Br])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6779 |
| logD: | 1.4935 |
| logSw: | -4.3741 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.395 |
| InChI Key: | GXCZXNUBPJTYPK-UHFFFAOYSA-N |