N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-4-methylbenzamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-4-methylbenzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-4-methylbenzamide
Compound characteristics
| Compound ID: | V009-1095 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-4-methylbenzamide |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C28 H32 N2 O5 S |
| Smiles: | Cc1ccc(cc1)C(N(CCCOC)CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3424 |
| logD: | 4.3424 |
| logSw: | -4.2875 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.588 |
| InChI Key: | REQNHLVZYSKBJG-UHFFFAOYSA-N |