10-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one
Chemical Structure Depiction of
10-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one
10-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one
Compound characteristics
| Compound ID: | 2113-0036 |
| Compound Name: | 10-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one |
| Molecular Weight: | 491.89 |
| Molecular Formula: | C25 H18 Cl N3 O6 |
| Smiles: | C1Cc2cc3C=C(/C=C4/C(=O)OC(c5ccc(c(c5)[N+]([O-])=O)[Cl])=N4)C(=O)Oc3c3CCCN(C1)c23 |
| Stereo: | ACHIRAL |
| logP: | 4.1134 |
| logD: | 4.1131 |
| logSw: | -4.5989 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.945 |
| InChI Key: | WQRUANATKMGRTN-UHFFFAOYSA-N |