N-[(4-chlorophenyl)methyl]-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-[(4-chlorophenyl)methyl]-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E207-1482 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 401.87 |
| Molecular Formula: | C19 H16 Cl N3 O3 S |
| Smiles: | Cn1c2c3ccccc3S(Cc2c(C(NCc2ccc(cc2)[Cl])=O)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.493 |
| logD: | 2.493 |
| logSw: | -3.4643 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.5 |
| InChI Key: | NZGVPSHCUVKHOI-UHFFFAOYSA-N |