7-{5-[(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-1,2,4-oxadiazol-3-yl}-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
7-{5-[(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-1,2,4-oxadiazol-3-yl}-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
7-{5-[(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-1,2,4-oxadiazol-3-yl}-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | G946-0449 |
| Compound Name: | 7-{5-[(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-1,2,4-oxadiazol-3-yl}-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 498.56 |
| Molecular Formula: | C27 H22 N4 O4 S |
| Smiles: | CCCN1C(c2ccccc2Sc2cc(ccc12)c1nc(CN2C(COc3ccccc23)=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4683 |
| logD: | 5.4683 |
| logSw: | -5.381 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.823 |
| InChI Key: | JRXUUGPMBXCWGR-UHFFFAOYSA-N |