N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,3-dimethyl-N-propylbutanamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,3-dimethyl-N-propylbutanamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,3-dimethyl-N-propylbutanamide
Compound characteristics
| Compound ID: | V015-5320 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,3-dimethyl-N-propylbutanamide |
| Molecular Weight: | 458.62 |
| Molecular Formula: | C25 H34 N2 O4 S |
| Smiles: | CCCN(CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0218 |
| logD: | 5.0218 |
| logSw: | -4.7659 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.989 |
| InChI Key: | CTFAZBRCSOVYPS-UHFFFAOYSA-N |