3-(2-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(2-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methyl-2H-1-benzopyran-2-one
3-(2-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | M040-1017 |
| Compound Name: | 3-(2-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 435.89 |
| Molecular Formula: | C22 H14 Cl N3 O3 S |
| Smiles: | Cc1cccc2C=C(C(=O)Oc12)c1csc(Cc2nc(c3cccc(c3)[Cl])no2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.1928 |
| logD: | 6.1928 |
| logSw: | -6.2009 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.145 |
| InChI Key: | JRNZTFHRULDAPX-UHFFFAOYSA-N |