3-(3-chloro-4-fluorophenyl)-8-methoxy-1-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-(3-chloro-4-fluorophenyl)-8-methoxy-1-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-(3-chloro-4-fluorophenyl)-8-methoxy-1-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0790 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-8-methoxy-1-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 493.92 |
| Molecular Formula: | C26 H21 Cl F N3 O4 |
| Smiles: | Cn1c2C(N(C(N(Cc3cccc(c3)OC)c2c2cc(ccc12)OC)=O)c1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0129 |
| logD: | 5.0129 |
| logSw: | -5.2101 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.823 |
| InChI Key: | LSLJOFOVPRKAMZ-UHFFFAOYSA-N |