2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-4465 |
| Compound Name: | 2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile |
| Molecular Weight: | 395.76 |
| Molecular Formula: | C19 H10 Cl N3 O5 |
| Smiles: | C(C1C(C2=C(c3ccccc3OC2=O)OC=1N)c1cc(ccc1[Cl])[N+]([O-])=O)#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2621 |
| logD: | 3.2621 |
| logSw: | -3.9759 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.081 |
| InChI Key: | YFLFZJISCKNRLM-OAHLLOKOSA-N |