2-(5-methylthiophen-2-yl)-1-[(3,4,5-trimethoxyphenyl)methyl]azepane
Chemical Structure Depiction of
2-(5-methylthiophen-2-yl)-1-[(3,4,5-trimethoxyphenyl)methyl]azepane
2-(5-methylthiophen-2-yl)-1-[(3,4,5-trimethoxyphenyl)methyl]azepane
Compound characteristics
| Compound ID: | J006-2043 |
| Compound Name: | 2-(5-methylthiophen-2-yl)-1-[(3,4,5-trimethoxyphenyl)methyl]azepane |
| Molecular Weight: | 375.53 |
| Molecular Formula: | C21 H29 N O3 S |
| Smiles: | Cc1ccc(C2CCCCCN2Cc2cc(c(c(c2)OC)OC)OC)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7682 |
| logD: | 0.8107 |
| logSw: | -4.5708 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.8864 |
| InChI Key: | ALOIAWSCXZGKSN-KRWDZBQOSA-N |