N-butyl-N-{2-[4-(4-chlorophenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-N'-[4-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-butyl-N-{2-[4-(4-chlorophenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-N'-[4-(methylsulfanyl)phenyl]urea
N-butyl-N-{2-[4-(4-chlorophenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-N'-[4-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | V014-1085 |
| Compound Name: | N-butyl-N-{2-[4-(4-chlorophenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-N'-[4-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 559.13 |
| Molecular Formula: | C31 H31 Cl N4 O2 S |
| Smiles: | CCCCN(CC(N1C(c2ccc(cc2)[Cl])c2cccn2c2ccccc12)=O)C(Nc1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.4257 |
| logD: | 7.4257 |
| logSw: | -6.4464 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.83 |
| InChI Key: | XMQBVZOBZCMPQZ-SSEXGKCCSA-N |