N-butyl-N-{2-[4-(4-chlorophenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-N'-(3,4-difluorophenyl)urea
Chemical Structure Depiction of
N-butyl-N-{2-[4-(4-chlorophenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-N'-(3,4-difluorophenyl)urea
N-butyl-N-{2-[4-(4-chlorophenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-N'-(3,4-difluorophenyl)urea
Compound characteristics
| Compound ID: | V019-3136 |
| Compound Name: | N-butyl-N-{2-[4-(4-chlorophenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-N'-(3,4-difluorophenyl)urea |
| Molecular Weight: | 549.02 |
| Molecular Formula: | C30 H27 Cl F2 N4 O2 |
| Smiles: | CCCCN(CC(N1C(c2ccc(cc2)[Cl])c2cccn2c2ccccc12)=O)C(Nc1ccc(c(c1)F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.063 |
| logD: | 7.0626 |
| logSw: | -6.4237 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.83 |
| InChI Key: | DNSCQLLSJQGMGE-GDLZYMKVSA-N |