N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | 6451-0744 |
| Compound Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxo-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C21 H17 N3 O3 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(C1=Cc2ccccc2C(=O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1834 |
| logD: | 2.0118 |
| logSw: | -3.0564 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.704 |
| InChI Key: | AUAUQOKYVVJZMM-UHFFFAOYSA-N |