2-ethyl-N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}butanamide
Chemical Structure Depiction of
2-ethyl-N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}butanamide
2-ethyl-N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}butanamide
Compound characteristics
| Compound ID: | D487-0147 |
| Compound Name: | 2-ethyl-N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}butanamide |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C21 H25 N3 O3 S |
| Smiles: | CCC(CC)C(Nc1nc(c2ccc3c(c2)N(CC=C)C(CO3)=O)c(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1887 |
| logD: | 4.1877 |
| logSw: | -4.2701 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.226 |
| InChI Key: | JLIJNKGWFQUYKT-UHFFFAOYSA-N |