3-benzyl-1-[(2-chloro-4-fluorophenyl)methyl]-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-benzyl-1-[(2-chloro-4-fluorophenyl)methyl]-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-benzyl-1-[(2-chloro-4-fluorophenyl)methyl]-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-1175 |
| Compound Name: | 3-benzyl-1-[(2-chloro-4-fluorophenyl)methyl]-8-methoxy-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 477.92 |
| Molecular Formula: | C26 H21 Cl F N3 O3 |
| Smiles: | Cn1c2C(N(Cc3ccccc3)C(N(Cc3ccc(cc3[Cl])F)c2c2cc(ccc12)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8091 |
| logD: | 5.8091 |
| logSw: | -5.9843 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.891 |
| InChI Key: | YABAHGFFCVYXIM-UHFFFAOYSA-N |