N-{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
N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}butanamide
N-{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: | D487-0092 |
| Compound Name: | N-{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: | 357.43 |
| Molecular Formula: | C18 H19 N3 O3 S |
| Smiles: | CCCC(Nc1nc(cs1)c1ccc2c(c1)N(CC=C)C(CO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2729 |
| logD: | 3.2729 |
| logSw: | -3.5448 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.242 |
| InChI Key: | LTDJCTWTEOMLNY-UHFFFAOYSA-N |