3-[2-(3-methyl-5-phenylthiophen-2-yl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
3-[2-(3-methyl-5-phenylthiophen-2-yl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
3-[2-(3-methyl-5-phenylthiophen-2-yl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 4393-0191 |
| Compound Name: | 3-[2-(3-methyl-5-phenylthiophen-2-yl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 361.42 |
| Molecular Formula: | C21 H15 N O3 S |
| Smiles: | Cc1cc(c2ccccc2)sc1C(\C=C1/C(=O)Oc2ccccc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3913 |
| logD: | 5.3912 |
| logSw: | -5.5319 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.141 |
| InChI Key: | YQWZRWVNCHEAEJ-UHFFFAOYSA-N |