3-(5-chloro-2-methylphenyl)-8-methoxy-5-methyl-1-[(2-methylphenyl)methyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-(5-chloro-2-methylphenyl)-8-methoxy-5-methyl-1-[(2-methylphenyl)methyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-(5-chloro-2-methylphenyl)-8-methoxy-5-methyl-1-[(2-methylphenyl)methyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0798 |
| Compound Name: | 3-(5-chloro-2-methylphenyl)-8-methoxy-5-methyl-1-[(2-methylphenyl)methyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 473.96 |
| Molecular Formula: | C27 H24 Cl N3 O3 |
| Smiles: | Cc1ccccc1CN1C(N(C(c2c1c1cc(ccc1n2C)OC)=O)c1cc(ccc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.2593 |
| logD: | 6.2593 |
| logSw: | -6.0331 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.979 |
| InChI Key: | DKIWQGWMLUHGFN-UHFFFAOYSA-N |