N-butyl-4-chloro-N-{2-[4-(furan-2-yl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-butyl-4-chloro-N-{2-[4-(furan-2-yl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-3-nitrobenzamide
N-butyl-4-chloro-N-{2-[4-(furan-2-yl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-3-nitrobenzamide
Compound characteristics
Compound ID: | V014-1105 |
Compound Name: | N-butyl-4-chloro-N-{2-[4-(furan-2-yl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl]-2-oxoethyl}-3-nitrobenzamide |
Molecular Weight: | 532.98 |
Molecular Formula: | C28 H25 Cl N4 O5 |
Smiles: | CCCCN(CC(N1C(c2cccn2c2ccccc12)c1ccco1)=O)C(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.0618 |
logD: | 5.0618 |
logSw: | -5.4355 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 73.668 |
InChI Key: | XOQHPXKMZUPCPM-MHZLTWQESA-N |