N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-bromo-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-bromo-N-[(oxolan-2-yl)methyl]benzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-bromo-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V008-2629 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-bromo-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 585.52 |
| Molecular Formula: | C28 H29 Br N2 O5 S |
| Smiles: | Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(CN(CC1CCCO1)C(c1cccc(c1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5221 |
| logD: | 4.5221 |
| logSw: | -4.4297 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.65 |
| InChI Key: | FAEMPXWNSWHODE-HSZRJFAPSA-N |