1-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1,4-dihydro-5H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-5,5-dione
Chemical Structure Depiction of
1-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1,4-dihydro-5H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-5,5-dione
1-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1,4-dihydro-5H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-5,5-dione
Compound characteristics
| Compound ID: | E207-1307 |
| Compound Name: | 1-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1,4-dihydro-5H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-5,5-dione |
| Molecular Weight: | 467.5 |
| Molecular Formula: | C22 H21 N5 O5 S |
| Smiles: | Cn1c2c3ccccc3S(Cc2c(C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1406 |
| logD: | 2.1406 |
| logSw: | -2.7604 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 96.377 |
| InChI Key: | KVJJBSOKAJSMGQ-UHFFFAOYSA-N |