1-[4-(2-chloro-4-nitrobenzoyl)-3-methylpiperazin-1-yl]-4-({5-[(2-methylphenyl)methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butan-1-one
Chemical Structure Depiction of
1-[4-(2-chloro-4-nitrobenzoyl)-3-methylpiperazin-1-yl]-4-({5-[(2-methylphenyl)methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butan-1-one
1-[4-(2-chloro-4-nitrobenzoyl)-3-methylpiperazin-1-yl]-4-({5-[(2-methylphenyl)methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butan-1-one
Compound characteristics
| Compound ID: | V010-0056 |
| Compound Name: | 1-[4-(2-chloro-4-nitrobenzoyl)-3-methylpiperazin-1-yl]-4-({5-[(2-methylphenyl)methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butan-1-one |
| Molecular Weight: | 658.18 |
| Molecular Formula: | C33 H32 Cl N7 O4 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1ccc(cc1[Cl])[N+]([O-])=O)=O)C(CCCSc1nc2c(c3ccccc3n2Cc2ccccc2C)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.991 |
| logD: | 5.991 |
| logSw: | -6.1146 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 98.155 |
| InChI Key: | UMPPDJLPZYPDLR-QFIPXVFZSA-N |