methyl 2-{[1-(1,5-dimethyl-1H-pyrazole-4-sulfonyl)piperidine-3-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[1-(1,5-dimethyl-1H-pyrazole-4-sulfonyl)piperidine-3-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-{[1-(1,5-dimethyl-1H-pyrazole-4-sulfonyl)piperidine-3-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-3514 |
| Compound Name: | methyl 2-{[1-(1,5-dimethyl-1H-pyrazole-4-sulfonyl)piperidine-3-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 494.63 |
| Molecular Formula: | C22 H30 N4 O5 S2 |
| Smiles: | Cc1c(cnn1C)S(N1CCCC(C1)C(Nc1c(C(=O)OC)c2CCCCCc2s1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2679 |
| logD: | -1.1227 |
| logSw: | -2.6499 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.68 |
| InChI Key: | CPEKKKHLVXDUJO-HNNXBMFYSA-N |