1-benzyl-3-(3-chlorophenyl)-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
1-benzyl-3-(3-chlorophenyl)-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
1-benzyl-3-(3-chlorophenyl)-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0320 |
| Compound Name: | 1-benzyl-3-(3-chlorophenyl)-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 429.91 |
| Molecular Formula: | C25 H20 Cl N3 O2 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(C(N1Cc1ccccc1)=O)c1cccc(c1)[Cl])=O)n2C |
| Stereo: | ACHIRAL |
| logP: | 5.4319 |
| logD: | 5.4319 |
| logSw: | -5.7236 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.736 |
| InChI Key: | PEUBLSHMRGEVLF-UHFFFAOYSA-N |