methyl 2-[2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamido]benzoate
methyl 2-[2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | E008-0106 |
| Compound Name: | methyl 2-[2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C24 H22 N4 O3 S |
| Smiles: | COC(c1ccccc1NC(CSCc1cnn(c2ccccc2)c1n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7715 |
| logD: | 4.6566 |
| logSw: | -4.4716 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.449 |
| InChI Key: | ULNWGZMXSFRIEP-UHFFFAOYSA-N |