7-[5-(1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
7-[5-(1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
7-[5-(1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | G946-0446 |
| Compound Name: | 7-[5-(1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C22 H19 N5 O2 S |
| Smiles: | CCCN1C(c2ccccc2Sc2cc(ccc12)c1nc(c2ccnn2C)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8078 |
| logD: | 4.8078 |
| logSw: | -4.5153 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.707 |
| InChI Key: | ICCSCPQHQJLHSO-UHFFFAOYSA-N |