methyl 2-[(1,3-dimethyl-1H-pyrazole-4-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(1,3-dimethyl-1H-pyrazole-4-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-[(1,3-dimethyl-1H-pyrazole-4-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-5947 |
| Compound Name: | methyl 2-[(1,3-dimethyl-1H-pyrazole-4-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 347.43 |
| Molecular Formula: | C17 H21 N3 O3 S |
| Smiles: | Cc1c(cn(C)n1)C(Nc1c(C(=O)OC)c2CCCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6468 |
| logD: | -1.1612 |
| logSw: | -3.0464 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.711 |
| InChI Key: | ABPAWQQPTROOJU-UHFFFAOYSA-N |