4-[(5-benzyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-[3-methyl-4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]butan-1-one
Chemical Structure Depiction of
4-[(5-benzyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-[3-methyl-4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]butan-1-one
4-[(5-benzyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-[3-methyl-4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]butan-1-one
Compound characteristics
| Compound ID: | V010-0078 |
| Compound Name: | 4-[(5-benzyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-[3-methyl-4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]butan-1-one |
| Molecular Weight: | 637.76 |
| Molecular Formula: | C34 H35 N7 O4 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1ccc(C)c(c1)[N+]([O-])=O)=O)C(CCCSc1nc2c(c3cc(C)ccc3n2Cc2ccccc2)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7202 |
| logD: | 5.7202 |
| logSw: | -5.4732 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.854 |
| InChI Key: | BUFLLWIDOYEUPJ-DEOSSOPVSA-N |