3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethylidene]-6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethylidene]-6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-one
3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethylidene]-6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6025 |
| Compound Name: | 3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethylidene]-6-(ethanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C17 H16 N2 O5 S2 |
| Smiles: | CCS(c1ccc2c(c1)NC(=C\C(c1c(C)nc(C)s1)=O)\C(=O)O2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1516 |
| logD: | 2.1502 |
| logSw: | -2.9693 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.82 |
| InChI Key: | RVDGQRBSNYMEHG-UHFFFAOYSA-N |