3-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)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-[(4-fluorophenyl)methyl]-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0776 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 481.89 |
| Molecular Formula: | C25 H18 Cl F2 N3 O3 |
| Smiles: | Cn1c2C(N(C(N(Cc3ccc(cc3)F)c2c2cc(ccc12)OC)=O)c1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9866 |
| logD: | 4.9866 |
| logSw: | -5.1028 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.279 |
| InChI Key: | WQEXHMBIDLFHRT-UHFFFAOYSA-N |