1,3-diacetyl-9-methyl-2-sulfanylidene-1,2,3,4-tetrahydro-5H-6,1,3-benzoxadiazocin-5-one
Chemical Structure Depiction of
1,3-diacetyl-9-methyl-2-sulfanylidene-1,2,3,4-tetrahydro-5H-6,1,3-benzoxadiazocin-5-one
1,3-diacetyl-9-methyl-2-sulfanylidene-1,2,3,4-tetrahydro-5H-6,1,3-benzoxadiazocin-5-one
Compound characteristics
| Compound ID: | 8017-8143 |
| Compound Name: | 1,3-diacetyl-9-methyl-2-sulfanylidene-1,2,3,4-tetrahydro-5H-6,1,3-benzoxadiazocin-5-one |
| Molecular Weight: | 306.34 |
| Molecular Formula: | C14 H14 N2 O4 S |
| Smiles: | CC(N1CC(=O)Oc2ccc(C)cc2N(C(C)=O)C1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3284 |
| logD: | 0.3284 |
| logSw: | -2.0134 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 52.984 |
| InChI Key: | APMJZJKOHBXGSE-UHFFFAOYSA-N |