4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-9-methyl-2-(2-methylpropyl)-2,9-dihydro-1H-pyrido[3,4-b]indol-1-one
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-9-methyl-2-(2-methylpropyl)-2,9-dihydro-1H-pyrido[3,4-b]indol-1-one
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-9-methyl-2-(2-methylpropyl)-2,9-dihydro-1H-pyrido[3,4-b]indol-1-one
Compound characteristics
| Compound ID: | C237-0791 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-9-methyl-2-(2-methylpropyl)-2,9-dihydro-1H-pyrido[3,4-b]indol-1-one |
| Molecular Weight: | 500.6 |
| Molecular Formula: | C29 H32 N4 O4 |
| Smiles: | CC(C)CN1C=C(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)c2c3ccccc3n(C)c2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.2018 |
| logD: | 2.8843 |
| logSw: | -3.4298 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.699 |
| InChI Key: | ZPZDDMLDDDSWAW-UHFFFAOYSA-N |