5-tert-butyl-3-{1-[3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
5-tert-butyl-3-{1-[3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl}-1,3-benzoxazol-2(3H)-one
5-tert-butyl-3-{1-[3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | V007-9265 |
| Compound Name: | 5-tert-butyl-3-{1-[3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 499.01 |
| Molecular Formula: | C27 H31 Cl N2 O5 |
| Smiles: | CC(C)(C)c1ccc2c(c1)N(C1CCN(CC1)C(/C=C/c1ccc(c(c1[Cl])OC)OC)=O)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 5.6294 |
| logD: | 5.6294 |
| logSw: | -6.0903 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.565 |
| InChI Key: | RTFYXZJOCGXTEJ-YRNVUSSQSA-N |