N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
Chemical Structure Depiction of
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
Compound characteristics
| Compound ID: | F796-0576 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide |
| Molecular Weight: | 431.54 |
| Molecular Formula: | C25 H29 N5 O2 |
| Smiles: | CCN(CCCNC(CN1C=Nc2c3cc(C)ccc3[nH]c2C1=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.1546 |
| logD: | 3.1223 |
| logSw: | -3.1209 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.6 |
| InChI Key: | ZGTNIRCTNNGGKM-UHFFFAOYSA-N |