4-[(5-benzyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-[4-(3,5-dimethoxybenzoyl)-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-(3,5-dimethoxybenzoyl)-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-(3,5-dimethoxybenzoyl)-3-methylpiperazin-1-yl]butan-1-one
Compound characteristics
| Compound ID: | V010-0066 |
| Compound Name: | 4-[(5-benzyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-[4-(3,5-dimethoxybenzoyl)-3-methylpiperazin-1-yl]butan-1-one |
| Molecular Weight: | 638.79 |
| Molecular Formula: | C35 H38 N6 O4 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1cc(cc(c1)OC)OC)=O)C(CCCSc1nc2c(c3cc(C)ccc3n2Cc2ccccc2)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6558 |
| logD: | 5.6558 |
| logSw: | -5.4368 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.861 |
| InChI Key: | SRFZRFOZHHPWSL-DEOSSOPVSA-N |