7-chloro-4-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-chloro-4-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
7-chloro-4-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0063 |
| Compound Name: | 7-chloro-4-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 347.78 |
| Molecular Formula: | C15 H10 Cl N3 O3 S |
| Smiles: | C(c1nc(c2cccs2)no1)N1C(COc2cc(ccc12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6219 |
| logD: | 3.6219 |
| logSw: | -3.9127 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.43 |
| InChI Key: | DMRSCHKSHPBCLX-UHFFFAOYSA-N |