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
3,5,5a,11b-tetrahydro-2H,6H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2,6-dione
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: | 8014-5593 |
| Compound Name: | 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: | 291.34 |
| Molecular Formula: | C13 H9 N O3 S2 |
| Smiles: | C1C2C(C3=C(NC(=O)S3)S1)c1ccccc1OC2=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4271 |
| logD: | 2.4269 |
| logSw: | -2.9916 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.144 |
| InChI Key: | PTQADHQETJNTJD-UHFFFAOYSA-N |