N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-bromo-N-(3-methoxypropyl)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-(3-methoxypropyl)benzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-bromo-N-(3-methoxypropyl)benzamide
Compound characteristics
| Compound ID: | V009-1143 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-bromo-N-(3-methoxypropyl)benzamide |
| Molecular Weight: | 573.51 |
| Molecular Formula: | C27 H29 Br N2 O5 S |
| Smiles: | Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(CN(CCCOC)C(c1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6838 |
| logD: | 4.6838 |
| logSw: | -4.5131 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.588 |
| InChI Key: | DITAXGSMHNRMSP-UHFFFAOYSA-N |