3-[2-(4-benzylpiperidin-1-yl)ethyl]-8-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[2-(4-benzylpiperidin-1-yl)ethyl]-8-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[2-(4-benzylpiperidin-1-yl)ethyl]-8-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | D007-0386 |
| Compound Name: | 3-[2-(4-benzylpiperidin-1-yl)ethyl]-8-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 420.94 |
| Molecular Formula: | C24 H25 Cl N4 O |
| Smiles: | C1CN(CCC1Cc1ccccc1)CCN1C=Nc2c3cc(ccc3[nH]c2C1=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4322 |
| logD: | 3.9822 |
| logSw: | -4.553 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.986 |
| InChI Key: | DIUHSWSCVMVAIU-UHFFFAOYSA-N |