3-(3-chloro-4-fluorophenyl)-8-methoxy-5-methyl-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-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-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
3-(3-chloro-4-fluorophenyl)-8-methoxy-5-methyl-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | E737-0772 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-8-methoxy-5-methyl-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione |
| Molecular Weight: | 484.91 |
| Molecular Formula: | C24 H22 Cl F N4 O4 |
| Smiles: | Cn1c2C(N(C(N(CC(N3CCCC3)=O)c2c2cc(ccc12)OC)=O)c1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0729 |
| logD: | 3.0729 |
| logSw: | -3.4065 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.038 |
| InChI Key: | VQOBDSYSTMCGGY-UHFFFAOYSA-N |