N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-butyl-4-chlorobenzamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-butyl-4-chlorobenzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-butyl-4-chlorobenzamide
Compound characteristics
| Compound ID: | V024-4572 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-butyl-4-chlorobenzamide |
| Molecular Weight: | 513.06 |
| Molecular Formula: | C27 H29 Cl N2 O4 S |
| Smiles: | CCCCN(CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5831 |
| logD: | 5.5831 |
| logSw: | -5.9254 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.245 |
| InChI Key: | ZFSDWSALOBMYOD-UHFFFAOYSA-N |