4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Chemical Structure Depiction of
4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Compound characteristics
| Compound ID: | K836-0211 |
| Compound Name: | 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one |
| Molecular Weight: | 459.93 |
| Molecular Formula: | C23 H26 Cl N3 O5 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(c(c1)[N+]([O-])=O)[Cl])C(N1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8868 |
| logD: | -0.6207 |
| logSw: | -3.7292 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.559 |
| InChI Key: | JEQXITFJMLTRIT-FQEVSTJZSA-N |