4-(2-chloro-5-nitrophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Chemical Structure Depiction of
4-(2-chloro-5-nitrophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
4-(2-chloro-5-nitrophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Compound characteristics
| Compound ID: | C276-1004 |
| Compound Name: | 4-(2-chloro-5-nitrophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione |
| Molecular Weight: | 348.78 |
| Molecular Formula: | C17 H17 Cl N2 O4 |
| Smiles: | CC1(C)CC2=C(C(CC(N2)=O)c2cc(ccc2[Cl])[N+]([O-])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0708 |
| logD: | 2.1347 |
| logSw: | -3.5572 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.388 |
| InChI Key: | XNSUECSSSDXDAY-NSHDSACASA-N |