3-bromo-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-propylbenzamide
Chemical Structure Depiction of
3-bromo-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-propylbenzamide
3-bromo-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-propylbenzamide
Compound characteristics
| Compound ID: | V012-2614 |
| Compound Name: | 3-bromo-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-propylbenzamide |
| Molecular Weight: | 573.55 |
| Molecular Formula: | C28 H33 Br N2 O4 S |
| Smiles: | CCCN(CC(N(CCc1ccc(c(c1)OC)OC)Cc1c(C)ccs1)=O)C(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1745 |
| logD: | 5.1745 |
| logSw: | -5.1207 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.369 |
| InChI Key: | HLMMFTQOLZHWKR-UHFFFAOYSA-N |