10-nitro-3,5a,6,11b-tetrahydro-2H,5H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one
Chemical Structure Depiction of
10-nitro-3,5a,6,11b-tetrahydro-2H,5H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one
10-nitro-3,5a,6,11b-tetrahydro-2H,5H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one
Compound characteristics
| Compound ID: | 6193-0521 |
| Compound Name: | 10-nitro-3,5a,6,11b-tetrahydro-2H,5H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one |
| Molecular Weight: | 322.36 |
| Molecular Formula: | C13 H10 N2 O4 S2 |
| Smiles: | C1C2CSC3=C(C2c2cc(ccc2O1)[N+]([O-])=O)SC(N3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5721 |
| logD: | 3.572 |
| logSw: | -3.7882 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.973 |
| InChI Key: | VDJBLTVFFSDNLR-UHFFFAOYSA-N |