3-[3-(azepan-1-yl)propyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[3-(azepan-1-yl)propyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[3-(azepan-1-yl)propyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | D007-0188 |
| Compound Name: | 3-[3-(azepan-1-yl)propyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | COc1ccc2c3c(C(N(CCCN4CCCCCC4)C=N3)=O)[nH]c2c1 |
| Stereo: | ACHIRAL |
| logP: | 2.609 |
| logD: | 0.5378 |
| logSw: | -3.0476 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.133 |
| InChI Key: | JMNLKQQPUCXXDT-UHFFFAOYSA-N |