N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-3,3-dimethylbutanamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | V015-5125 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-3,3-dimethylbutanamide |
| Molecular Weight: | 488.65 |
| Molecular Formula: | C26 H36 N2 O5 S |
| Smiles: | Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(CN(CCCOC)C(CC(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.484 |
| logD: | 4.484 |
| logSw: | -4.3714 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.332 |
| InChI Key: | ALYUUYKYDIJPQY-UHFFFAOYSA-N |