10-nitro-5-phenyl-3,5,5a,11b-tetrahydro-2H,6H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2,6-dione
Chemical Structure Depiction of
10-nitro-5-phenyl-3,5,5a,11b-tetrahydro-2H,6H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2,6-dione
10-nitro-5-phenyl-3,5,5a,11b-tetrahydro-2H,6H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2,6-dione
Compound characteristics
| Compound ID: | 6427-0392 |
| Compound Name: | 10-nitro-5-phenyl-3,5,5a,11b-tetrahydro-2H,6H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2,6-dione |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C19 H12 N2 O5 S2 |
| Smiles: | c1ccc(cc1)C1C2C(C3=C(NC(=O)S3)S1)c1cc(ccc1OC2=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1278 |
| logD: | 4.1277 |
| logSw: | -4.6259 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.254 |
| InChI Key: | KVUHSMIOTHUGRJ-UHFFFAOYSA-N |