3-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | D007-0215 |
| Compound Name: | 3-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 417.51 |
| Molecular Formula: | C24 H27 N5 O2 |
| Smiles: | COc1ccc2c3c(C(N(CCN4CCN(CC4)Cc4ccccc4)C=N3)=O)[nH]c2c1 |
| Stereo: | ACHIRAL |
| logP: | 2.2816 |
| logD: | 2.143 |
| logSw: | -2.8625 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.342 |
| InChI Key: | IBSZUOXKWSTVDE-UHFFFAOYSA-N |