N-butyl-N-{2-[4-(3-methylphenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-N'-(4-nitrophenyl)urea
Chemical Structure Depiction of
N-butyl-N-{2-[4-(3-methylphenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-N'-(4-nitrophenyl)urea
N-butyl-N-{2-[4-(3-methylphenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-N'-(4-nitrophenyl)urea
Compound characteristics
| Compound ID: | V015-0224 |
| Compound Name: | N-butyl-N-{2-[4-(3-methylphenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-N'-(4-nitrophenyl)urea |
| Molecular Weight: | 537.62 |
| Molecular Formula: | C31 H31 N5 O4 |
| Smiles: | CCCCN(CC(N1C(c2cccc(C)c2)c2cccn2c2ccccc12)=O)C(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5755 |
| logD: | 6.5754 |
| logSw: | -5.5916 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.212 |
| InChI Key: | QRMXLBJEHVKPTK-SSEXGKCCSA-N |