N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}prop-2-enamide
Chemical Structure Depiction of
N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}prop-2-enamide
N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}prop-2-enamide
Compound characteristics
| Compound ID: | Y502-0191 |
| Compound Name: | N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}prop-2-enamide |
| Molecular Weight: | 579.56 |
| Molecular Formula: | C30 H31 Br N2 O3 S |
| Smiles: | COc1ccc(/C=C/C(Nc2nc(cs2)C23CC4CC(CC(C4)C3)C2)=O)cc1COc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 9.0042 |
| logD: | 8.9971 |
| logSw: | -5.7351 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.782 |
| InChI Key: | QXXARVDVFXJBTO-UHFFFAOYSA-N |