4-[(5-benzyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-{4-[(benzyloxy)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-[(benzyloxy)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-[(benzyloxy)acetyl]-3-methylpiperazin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | V010-0088 |
| Compound Name: | 4-[(5-benzyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-{4-[(benzyloxy)acetyl]-3-methylpiperazin-1-yl}butan-1-one |
| Molecular Weight: | 622.79 |
| Molecular Formula: | C35 H38 N6 O3 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(COCc1ccccc1)=O)C(CCCSc1nc2c(c3cc(C)ccc3n2Cc2ccccc2)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3184 |
| logD: | 5.3184 |
| logSw: | -5.2831 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.681 |
| InChI Key: | GGBPZBKRADIDIK-SANMLTNESA-N |