N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8012-7345 |
| Compound Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CSc1nc2ccccc2n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9415 |
| logD: | 1.9065 |
| logSw: | -2.3208 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.09 |
| InChI Key: | SPQXCYCXKTYNFI-UHFFFAOYSA-N |