3-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0777 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 491.95 |
| Molecular Formula: | C27 H23 Cl F N3 O3 |
| Smiles: | Cc1ccc(C)c(CN2C(N(C(c3c2c2cc(ccc2n3C)OC)=O)c2ccc(c(c2)[Cl])F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.0036 |
| logD: | 6.0036 |
| logSw: | -6.1185 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.279 |
| InChI Key: | RXBIHHPHBZGGHR-UHFFFAOYSA-N |