3-(4-ethoxy-3-methoxyphenyl)-N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}prop-2-enamide
Chemical Structure Depiction of
3-(4-ethoxy-3-methoxyphenyl)-N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}prop-2-enamide
3-(4-ethoxy-3-methoxyphenyl)-N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}prop-2-enamide
Compound characteristics
| Compound ID: | D487-0136 |
| Compound Name: | 3-(4-ethoxy-3-methoxyphenyl)-N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}prop-2-enamide |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C26 H25 N3 O5 S |
| Smiles: | CCOc1ccc(/C=C/C(Nc2nc(cs2)c2ccc3c(c2)N(CC=C)C(CO3)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.8249 |
| logD: | 4.8249 |
| logSw: | -4.6088 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.812 |
| InChI Key: | QGZSOEDSEHMUQQ-UHFFFAOYSA-N |