1-[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]-4-({5-[(3-methylphenyl)methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butan-1-one
Chemical Structure Depiction of
1-[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]-4-({5-[(3-methylphenyl)methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butan-1-one
1-[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]-4-({5-[(3-methylphenyl)methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butan-1-one
Compound characteristics
| Compound ID: | V009-9082 |
| Compound Name: | 1-[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]-4-({5-[(3-methylphenyl)methyl]-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)butan-1-one |
| Molecular Weight: | 613.18 |
| Molecular Formula: | C33 H33 Cl N6 O2 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1ccc(cc1)[Cl])=O)C(CCCSc1nc2c(c3ccccc3n2Cc2cccc(C)c2)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1276 |
| logD: | 6.1276 |
| logSw: | -6.1467 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.774 |
| InChI Key: | QNXAGSFSIPNDAC-QHCPKHFHSA-N |