9-methyl-2-sulfanylidene-1,2,3,4-tetrahydro-5H-6,1,3-benzoxadiazocin-5-one
Chemical Structure Depiction of
9-methyl-2-sulfanylidene-1,2,3,4-tetrahydro-5H-6,1,3-benzoxadiazocin-5-one
9-methyl-2-sulfanylidene-1,2,3,4-tetrahydro-5H-6,1,3-benzoxadiazocin-5-one
Compound characteristics
| Compound ID: | 8017-8236 |
| Compound Name: | 9-methyl-2-sulfanylidene-1,2,3,4-tetrahydro-5H-6,1,3-benzoxadiazocin-5-one |
| Molecular Weight: | 222.26 |
| Molecular Formula: | C10 H10 N2 O2 S |
| Smiles: | Cc1ccc2c(c1)NC(NCC(=O)O2)=S |
| Stereo: | ACHIRAL |
| logP: | 1.231 |
| logD: | 1.231 |
| logSw: | -2.1703 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.454 |
| InChI Key: | JJIAZOFETYEJPF-UHFFFAOYSA-N |