3-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0294 |
| Compound Name: | 3-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-5,8-dimethyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 457.96 |
| Molecular Formula: | C27 H24 Cl N3 O2 |
| Smiles: | Cc1ccc(C)c(CN2C(N(C(c3c2c2cc(C)ccc2n3C)=O)c2cccc(c2)[Cl])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.4779 |
| logD: | 6.4779 |
| logSw: | -6.1354 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.736 |
| InChI Key: | QRMWCYGUBFJQGU-UHFFFAOYSA-N |