methyl 4-chloro-2-({[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-({[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}carbamamido)benzoate
methyl 4-chloro-2-({[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | G760-0143 |
| Compound Name: | methyl 4-chloro-2-({[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}carbamamido)benzoate |
| Molecular Weight: | 463.92 |
| Molecular Formula: | C24 H22 Cl N5 O3 |
| Smiles: | Cc1c(CNC(Nc2cc(ccc2C(=O)OC)[Cl])=O)c(n2cccc2)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5354 |
| logD: | 4.4619 |
| logSw: | -4.7008 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.549 |
| InChI Key: | AAAXOCKZYKZGKI-UHFFFAOYSA-N |