N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-bromo-N-(3-ethoxypropyl)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-ethoxypropyl)benzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-bromo-N-(3-ethoxypropyl)benzamide
Compound characteristics
| Compound ID: | V003-1009 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-bromo-N-(3-ethoxypropyl)benzamide |
| Molecular Weight: | 587.53 |
| Molecular Formula: | C28 H31 Br N2 O5 S |
| Smiles: | CCOCCCN(CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)C(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9875 |
| logD: | 4.9875 |
| logSw: | -4.7399 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.223 |
| InChI Key: | SBBHDCFLXLLOAT-UHFFFAOYSA-N |