3-(4-benzylpiperazine-1-carbonyl)-1-methyl-1,4-dihydro-5H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-5,5-dione
Chemical Structure Depiction of
3-(4-benzylpiperazine-1-carbonyl)-1-methyl-1,4-dihydro-5H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-5,5-dione
3-(4-benzylpiperazine-1-carbonyl)-1-methyl-1,4-dihydro-5H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-5,5-dione
Compound characteristics
| Compound ID: | E207-1336 |
| Compound Name: | 3-(4-benzylpiperazine-1-carbonyl)-1-methyl-1,4-dihydro-5H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-5,5-dione |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | Cn1c2c3ccccc3S(Cc2c(C(N2CCN(CC2)Cc2ccccc2)=O)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7744 |
| logD: | 1.7588 |
| logSw: | -2.6915 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.276 |
| InChI Key: | NWYHMJJJMHKNNF-UHFFFAOYSA-N |