N-butyl-N-{2-[4-(4-chlorophenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-N'-(3-cyanophenyl)urea
Chemical Structure Depiction of
N-butyl-N-{2-[4-(4-chlorophenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-N'-(3-cyanophenyl)urea
N-butyl-N-{2-[4-(4-chlorophenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-N'-(3-cyanophenyl)urea
Compound characteristics
| Compound ID: | V015-0213 |
| Compound Name: | N-butyl-N-{2-[4-(4-chlorophenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-N'-(3-cyanophenyl)urea |
| Molecular Weight: | 538.05 |
| Molecular Formula: | C31 H28 Cl N5 O2 |
| Smiles: | CCCCN(CC(N1C(c2ccc(cc2)[Cl])c2cccn2c2ccccc12)=O)C(Nc1cccc(C#N)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5674 |
| logD: | 6.5674 |
| logSw: | -6.3419 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.886 |
| InChI Key: | PWSXQWUWMJAAQD-SSEXGKCCSA-N |