methyl 4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-3,5-dimethyl-1H-pyrazol-1-yl}butanoate
Chemical Structure Depiction of
methyl 4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-3,5-dimethyl-1H-pyrazol-1-yl}butanoate
methyl 4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-3,5-dimethyl-1H-pyrazol-1-yl}butanoate
Compound characteristics
| Compound ID: | 8018-1795 |
| Compound Name: | methyl 4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-3,5-dimethyl-1H-pyrazol-1-yl}butanoate |
| Molecular Weight: | 359.38 |
| Molecular Formula: | C18 H21 N3 O5 |
| Smiles: | Cc1c(c(C)n(CCCC(=O)OC)n1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8286 |
| logD: | 0.8274 |
| logSw: | -2.0027 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.16 |
| InChI Key: | IBMMFOCXNDNZQS-UHFFFAOYSA-N |