4-[(5-benzyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-{4-[(4-chlorophenoxy)acetyl]-3-methylpiperazin-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-{4-[(4-chlorophenoxy)acetyl]-3-methylpiperazin-1-yl}butan-1-one
4-[(5-benzyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-{4-[(4-chlorophenoxy)acetyl]-3-methylpiperazin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | V015-5544 |
| Compound Name: | 4-[(5-benzyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-{4-[(4-chlorophenoxy)acetyl]-3-methylpiperazin-1-yl}butan-1-one |
| Molecular Weight: | 643.21 |
| Molecular Formula: | C34 H35 Cl N6 O3 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(COc1ccc(cc1)[Cl])=O)C(CCCSc1nc2c(c3cc(C)ccc3n2Cc2ccccc2)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8658 |
| logD: | 5.8658 |
| logSw: | -5.949 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.745 |
| InChI Key: | PSVCIXRRSUISFC-DEOSSOPVSA-N |