N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamide
Chemical Structure Depiction of
N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamide
N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamide
Compound characteristics
| Compound ID: | K415-0040 |
| Compound Name: | N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamide |
| Molecular Weight: | 468.56 |
| Molecular Formula: | C28 H28 N4 O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1cnnn1c1ccc(cc1)NC(/C=C/c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4771 |
| logD: | 6.4771 |
| logSw: | -5.9518 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.249 |
| InChI Key: | DSIOUKXPNFJEBC-UHFFFAOYSA-N |