9-chloro-2-sulfanylidene-1,2,3,4-tetrahydro-5H-6,1,3-benzoxadiazocin-5-one
Chemical Structure Depiction of
9-chloro-2-sulfanylidene-1,2,3,4-tetrahydro-5H-6,1,3-benzoxadiazocin-5-one
9-chloro-2-sulfanylidene-1,2,3,4-tetrahydro-5H-6,1,3-benzoxadiazocin-5-one
Compound characteristics
| Compound ID: | 8017-7418 |
| Compound Name: | 9-chloro-2-sulfanylidene-1,2,3,4-tetrahydro-5H-6,1,3-benzoxadiazocin-5-one |
| Molecular Weight: | 242.68 |
| Molecular Formula: | C9 H7 Cl N2 O2 S |
| Smiles: | C1C(=O)Oc2ccc(cc2NC(N1)=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.6469 |
| logD: | 1.6469 |
| logSw: | -2.69 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.454 |
| InChI Key: | ORYBLDYNOFWKOW-UHFFFAOYSA-N |