N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-7,8-dimethoxy-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)-7,8-dimethoxy-1-oxo-1H-2-benzothiopyran-3-carboxamide
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-7,8-dimethoxy-1-oxo-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | 6451-0745 |
| Compound Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-7,8-dimethoxy-1-oxo-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C23 H21 N3 O5 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(C1=Cc2ccc(c(c2C(=O)S1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1135 |
| logD: | 1.9419 |
| logSw: | -2.7524 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.052 |
| InChI Key: | AGJGHDIXVSQRJZ-UHFFFAOYSA-N |