5,8-dimethyl-1-(3-methylbutyl)-3-(3-methylphenyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
5,8-dimethyl-1-(3-methylbutyl)-3-(3-methylphenyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
5,8-dimethyl-1-(3-methylbutyl)-3-(3-methylphenyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0234 |
| Compound Name: | 5,8-dimethyl-1-(3-methylbutyl)-3-(3-methylphenyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 389.5 |
| Molecular Formula: | C24 H27 N3 O2 |
| Smiles: | CC(C)CCN1C(N(C(c2c1c1cc(C)ccc1n2C)=O)c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2674 |
| logD: | 5.2674 |
| logSw: | -5.1681 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.986 |
| InChI Key: | ZVRNBBHBQKNCEA-UHFFFAOYSA-N |