methyl 3-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C883-0459 |
| Compound Name: | methyl 3-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | Cc1c(C(Nc2ccsc2C(=O)OC)=O)c(n2cccc2)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.7646 |
| logD: | 3.7221 |
| logSw: | -4.3677 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.034 |
| InChI Key: | BXXJCPNQBBZMJO-UHFFFAOYSA-N |