3,5a,6,13c-tetrahydro-2H,5H-naphtho[1'',2'':5',6']pyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one
Chemical Structure Depiction of
3,5a,6,13c-tetrahydro-2H,5H-naphtho[1'',2'':5',6']pyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one
3,5a,6,13c-tetrahydro-2H,5H-naphtho[1'',2'':5',6']pyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one
Compound characteristics
| Compound ID: | 5916-0776 |
| Compound Name: | 3,5a,6,13c-tetrahydro-2H,5H-naphtho[1'',2'':5',6']pyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one |
| Molecular Weight: | 327.42 |
| Molecular Formula: | C17 H13 N O2 S2 |
| Smiles: | C1C2CSC3=C(C2c2c(ccc4ccccc24)O1)SC(N3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4525 |
| logD: | 4.4524 |
| logSw: | -4.808 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.3202 |
| InChI Key: | MCQQCBMARNECTO-UHFFFAOYSA-N |