N-{4-[(1,4-dimethyl-7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)sulfanyl]phenyl}methanesulfonamide
Chemical Structure Depiction of
N-{4-[(1,4-dimethyl-7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)sulfanyl]phenyl}methanesulfonamide
N-{4-[(1,4-dimethyl-7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)sulfanyl]phenyl}methanesulfonamide
Compound characteristics
| Compound ID: | 8019-0328 |
| Compound Name: | N-{4-[(1,4-dimethyl-7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)sulfanyl]phenyl}methanesulfonamide |
| Molecular Weight: | 436.46 |
| Molecular Formula: | C17 H16 N4 O6 S2 |
| Smiles: | CN1C(C(N(C)c2cc(c(cc12)[N+]([O-])=O)Sc1ccc(cc1)NS(C)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6355 |
| logD: | 1.6298 |
| logSw: | -2.6301 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.274 |
| InChI Key: | WCDNCJPMMWBZHT-UHFFFAOYSA-N |