3-[2-(4-benzylpiperazin-1-yl)ethyl]-8-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[2-(4-benzylpiperazin-1-yl)ethyl]-8-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[2-(4-benzylpiperazin-1-yl)ethyl]-8-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | D007-0385 |
| Compound Name: | 3-[2-(4-benzylpiperazin-1-yl)ethyl]-8-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 421.93 |
| Molecular Formula: | C23 H24 Cl N5 O |
| Smiles: | C1CN(CCN1CCN1C=Nc2c3cc(ccc3[nH]c2C1=O)[Cl])Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7058 |
| logD: | 2.5672 |
| logSw: | -3.4754 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.799 |
| InChI Key: | UUDCFRKMRWOCCW-UHFFFAOYSA-N |