3-(3-chloro-4-fluorophenyl)-8-methoxy-5-methyl-1-(3-methylbutyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-(3-chloro-4-fluorophenyl)-8-methoxy-5-methyl-1-(3-methylbutyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-(3-chloro-4-fluorophenyl)-8-methoxy-5-methyl-1-(3-methylbutyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0795 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-8-methoxy-5-methyl-1-(3-methylbutyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 443.9 |
| Molecular Formula: | C23 H23 Cl F N3 O3 |
| Smiles: | CC(C)CCN1C(N(C(c2c1c1cc(ccc1n2C)OC)=O)c1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9341 |
| logD: | 4.9341 |
| logSw: | -4.972 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.529 |
| InChI Key: | PXNIDFVHTLNUAQ-UHFFFAOYSA-N |