N-[3-(cyclohexylsulfanyl)propyl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-[3-(cyclohexylsulfanyl)propyl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
N-[3-(cyclohexylsulfanyl)propyl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | E015-1173 |
| Compound Name: | N-[3-(cyclohexylsulfanyl)propyl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide |
| Molecular Weight: | 404.57 |
| Molecular Formula: | C22 H32 N2 O3 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CCC(NCCCSC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4105 |
| logD: | 3.4105 |
| logSw: | -3.6416 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.48 |
| InChI Key: | HUJPHHFAPVTRHR-UHFFFAOYSA-N |