3-[2-({3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)-1,3-thiazol-4-yl]-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[2-({3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)-1,3-thiazol-4-yl]-8-methoxy-2H-1-benzopyran-2-one
3-[2-({3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)-1,3-thiazol-4-yl]-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | M040-1127 |
| Compound Name: | 3-[2-({3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)-1,3-thiazol-4-yl]-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 465.91 |
| Molecular Formula: | C23 H16 Cl N3 O4 S |
| Smiles: | COc1cccc2C=C(C(=O)Oc12)c1csc(Cc2nc(Cc3ccc(cc3)[Cl])no2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0846 |
| logD: | 5.0846 |
| logSw: | -5.3861 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.766 |
| InChI Key: | RNKLLMJLRMGVCE-UHFFFAOYSA-N |