3-[3-(azepan-1-yl)propyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[3-(azepan-1-yl)propyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[3-(azepan-1-yl)propyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | D007-0065 |
| Compound Name: | 3-[3-(azepan-1-yl)propyl]-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 338.45 |
| Molecular Formula: | C20 H26 N4 O |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(CCCN3CCCCCC3)C=N1)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.8109 |
| logD: | 0.7396 |
| logSw: | -3.0773 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.589 |
| InChI Key: | DQVTXVHJPFGKCQ-UHFFFAOYSA-N |