N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-butyl-4-methoxybenzamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-butyl-4-methoxybenzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-butyl-4-methoxybenzamide
Compound characteristics
| Compound ID: | V009-9316 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-butyl-4-methoxybenzamide |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C28 H32 N2 O5 S |
| Smiles: | CCCCN(CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)C(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9707 |
| logD: | 4.9707 |
| logSw: | -4.6666 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.789 |
| InChI Key: | PVBRNQUVXHBXCL-UHFFFAOYSA-N |