6-chloro-3-[2-(3-methyl-5-phenylthiophen-2-yl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
6-chloro-3-[2-(3-methyl-5-phenylthiophen-2-yl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
6-chloro-3-[2-(3-methyl-5-phenylthiophen-2-yl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6072 |
| Compound Name: | 6-chloro-3-[2-(3-methyl-5-phenylthiophen-2-yl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 395.86 |
| Molecular Formula: | C21 H14 Cl N O3 S |
| Smiles: | Cc1cc(c2ccccc2)sc1C(\C=C1/C(=O)Oc2ccc(cc2N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.891 |
| logD: | 5.8883 |
| logSw: | -6.0914 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.141 |
| InChI Key: | VKXCBGPLYZVKQW-UHFFFAOYSA-N |