1-benzyl-3-(5-chloro-2-methylphenyl)-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
1-benzyl-3-(5-chloro-2-methylphenyl)-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
1-benzyl-3-(5-chloro-2-methylphenyl)-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0826 |
| Compound Name: | 1-benzyl-3-(5-chloro-2-methylphenyl)-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 459.93 |
| Molecular Formula: | C26 H22 Cl N3 O3 |
| Smiles: | Cc1ccc(cc1N1C(c2c(c3cc(ccc3n2C)OC)N(Cc2ccccc2)C1=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.6407 |
| logD: | 5.6407 |
| logSw: | -5.8239 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.979 |
| InChI Key: | AYPHCZXPOYOAQW-UHFFFAOYSA-N |