N-butyl-N-{2-[4-(4-methylphenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-3-(4-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-butyl-N-{2-[4-(4-methylphenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-3-(4-nitrophenyl)prop-2-enamide
N-butyl-N-{2-[4-(4-methylphenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-3-(4-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | V018-1499 |
| Compound Name: | N-butyl-N-{2-[4-(4-methylphenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-3-(4-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 548.64 |
| Molecular Formula: | C33 H32 N4 O4 |
| Smiles: | CCCCN(CC(N1C(c2ccc(C)cc2)c2cccn2c2ccccc12)=O)C(/C=C/c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7875 |
| logD: | 6.7875 |
| logSw: | -5.6675 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.864 |
| InChI Key: | OQMUDUYSRTVCAD-MGBGTMOVSA-N |