2-{2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(cyclohexylsulfanyl)propyl]acetamide
Chemical Structure Depiction of
2-{2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(cyclohexylsulfanyl)propyl]acetamide
2-{2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(cyclohexylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | K788-5225 |
| Compound Name: | 2-{2-[(2-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(cyclohexylsulfanyl)propyl]acetamide |
| Molecular Weight: | 485.04 |
| Molecular Formula: | C26 H29 Cl N2 O3 S |
| Smiles: | C1CCC(CC1)SCCCNC(CN1C(/C(=C\c2ccccc2[Cl])Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3615 |
| logD: | 5.3615 |
| logSw: | -5.7897 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.538 |
| InChI Key: | LEIVANDCPJRKDM-UHFFFAOYSA-N |