7-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-10-methyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
7-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-10-methyldibenzo[b,f][1,4]thiazepin-11(10H)-one
7-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-10-methyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | G946-0066 |
| Compound Name: | 7-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-10-methyldibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 429.45 |
| Molecular Formula: | C23 H15 N3 O4 S |
| Smiles: | CN1C(c2ccccc2Sc2cc(ccc12)c1nc(c2ccc3c(c2)OCO3)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0733 |
| logD: | 5.0733 |
| logSw: | -4.7187 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.959 |
| InChI Key: | NSPRQRDQEPVOOI-UHFFFAOYSA-N |