10-methyl-7-{5-[(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
10-methyl-7-{5-[(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
10-methyl-7-{5-[(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | G946-0149 |
| Compound Name: | 10-methyl-7-{5-[(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 470.51 |
| Molecular Formula: | C25 H18 N4 O4 S |
| Smiles: | CN1C(c2ccccc2Sc2cc(ccc12)c1nc(CN2C(COc3ccccc23)=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0626 |
| logD: | 4.0626 |
| logSw: | -4.2818 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.611 |
| InChI Key: | HLOHCVCDRHKRJC-UHFFFAOYSA-N |