6-methyl-3-[2-(3-methyl-5-phenylthiophen-2-yl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
6-methyl-3-[2-(3-methyl-5-phenylthiophen-2-yl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
6-methyl-3-[2-(3-methyl-5-phenylthiophen-2-yl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6048 |
| Compound Name: | 6-methyl-3-[2-(3-methyl-5-phenylthiophen-2-yl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 375.44 |
| Molecular Formula: | C22 H17 N O3 S |
| Smiles: | Cc1ccc2c(c1)NC(=C\C(c1c(C)cc(c3ccccc3)s1)=O)\C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 5.4751 |
| logD: | 5.4751 |
| logSw: | -5.5497 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.141 |
| InChI Key: | RFKRNXRLMPNNDI-UHFFFAOYSA-N |