9-chloro-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one
Chemical Structure Depiction of
9-chloro-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one
9-chloro-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one
Compound characteristics
| Compound ID: | 6970-0009 |
| Compound Name: | 9-chloro-1,2,3,4,4a,12a-hexahydrodibenzo[d,g][1,6,3]oxathiazocin-6(7H)-one |
| Molecular Weight: | 283.77 |
| Molecular Formula: | C13 H14 Cl N O2 S |
| Smiles: | C1CCC2C(C1)OC(Nc1cc(ccc1S2)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5284 |
| logD: | 4.528 |
| logSw: | -4.5048 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.849 |
| InChI Key: | NJBPGZDUBXPREH-UHFFFAOYSA-N |