3-bromo-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
3-bromo-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(propan-2-yl)benzamide
3-bromo-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | V012-6439 |
| Compound Name: | 3-bromo-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(propan-2-yl)benzamide |
| Molecular Weight: | 573.55 |
| Molecular Formula: | C28 H33 Br N2 O4 S |
| Smiles: | CC(C)N(CC(N(CCc1ccc(c(c1)OC)OC)Cc1ccc(C)s1)=O)C(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4688 |
| logD: | 5.4688 |
| logSw: | -5.4808 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.134 |
| InChI Key: | AJJPWIDRXHQCFC-UHFFFAOYSA-N |