methyl 2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate
methyl 2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C883-0113 |
| Compound Name: | methyl 2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate |
| Molecular Weight: | 386.41 |
| Molecular Formula: | C22 H18 N4 O3 |
| Smiles: | COC(c1ccccc1NC(c1cnn(c2ccccc2)c1n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4114 |
| logD: | 4.4054 |
| logSw: | -4.2964 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.662 |
| InChI Key: | VSKXVKUDPKOSKR-UHFFFAOYSA-N |