(1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazol-3-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazol-3-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone
(1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazol-3-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | E146-1457 |
| Compound Name: | (1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazol-3-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C22 H21 N5 O3 S |
| Smiles: | Cn1c2c3ccccc3SCc2c(C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2032 |
| logD: | 3.2032 |
| logSw: | -3.6943 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.852 |
| InChI Key: | FXNRHLUOLGXKMZ-UHFFFAOYSA-N |