4-[5-({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid
Chemical Structure Depiction of
4-[5-({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid
4-[5-({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 3934-0107 |
| Compound Name: | 4-[5-({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid |
| Molecular Weight: | 465.49 |
| Molecular Formula: | C21 H19 N7 O4 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CSc1nnnn1c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2931 |
| logD: | -1.5931 |
| logSw: | -2.0127 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.828 |
| InChI Key: | NXWIYACKYHHXHV-UHFFFAOYSA-N |