3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,3-benzoxazol-2(3H)-one
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | F820-1265 |
| Compound Name: | 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C22 H20 N4 O5 S |
| Smiles: | C1CN(Cc2ccccc12)S(c1ccc2c(c1)OC(N2Cc1nc(C2CC2)on1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7254 |
| logD: | 3.7254 |
| logSw: | -4.1779 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.631 |
| InChI Key: | KCYFIWMGCSFCMD-UHFFFAOYSA-N |