N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-1H-pyrazole-3-carboxamide
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D627-0264 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 457.98 |
| Molecular Formula: | C23 H24 Cl N3 O3 S |
| Smiles: | Cc1ccc(cc1C)c1cc(C(NCc2ccc(cc2)[Cl])=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9644 |
| logD: | 3.9644 |
| logSw: | -4.4174 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.745 |
| InChI Key: | VUHDGGFIAMCREP-FQEVSTJZSA-N |