3-[{[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}(prop-2-en-1-yl)amino]-2-hydroxypropyl butanoate
Chemical Structure Depiction of
3-[{[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}(prop-2-en-1-yl)amino]-2-hydroxypropyl butanoate
3-[{[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}(prop-2-en-1-yl)amino]-2-hydroxypropyl butanoate
Compound characteristics
| Compound ID: | V012-7999 |
| Compound Name: | 3-[{[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}(prop-2-en-1-yl)amino]-2-hydroxypropyl butanoate |
| Molecular Weight: | 394.9 |
| Molecular Formula: | C20 H27 Cl N2 O4 |
| Smiles: | CCCC(=O)OCC(CN(CC=C)CC1CC(c2ccc(cc2)[Cl])=NO1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9265 |
| logD: | 3.7174 |
| logSw: | -4.2285 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.19 |
| InChI Key: | ASBBYAHJFGXBLB-UHFFFAOYSA-N |