3-{3-[benzyl(butyl)amino]propyl}-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-{3-[benzyl(butyl)amino]propyl}-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-{3-[benzyl(butyl)amino]propyl}-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | D007-0087 |
| Compound Name: | 3-{3-[benzyl(butyl)amino]propyl}-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 402.54 |
| Molecular Formula: | C25 H30 N4 O |
| Smiles: | CCCCN(CCCN1C=Nc2c3cc(C)ccc3[nH]c2C1=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3256 |
| logD: | 3.2399 |
| logSw: | -3.9635 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.216 |
| InChI Key: | BNGHGMRASSUFJU-UHFFFAOYSA-N |