2,2,2-trifluoro-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}acetamide
Chemical Structure Depiction of
2,2,2-trifluoro-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}acetamide
2,2,2-trifluoro-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}acetamide
Compound characteristics
| Compound ID: | D487-0183 |
| Compound Name: | 2,2,2-trifluoro-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}acetamide |
| Molecular Weight: | 397.37 |
| Molecular Formula: | C17 H14 F3 N3 O3 S |
| Smiles: | Cc1c(c2ccc3c(c2)N(CC=C)C(CO3)=O)nc(NC(C(F)(F)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.3836 |
| logD: | 2.6115 |
| logSw: | -3.9425 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.226 |
| InChI Key: | QJBYZAXHVLEEJX-UHFFFAOYSA-N |