N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-chloro-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-chloro-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-chloro-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | V010-4402 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-chloro-N-[2-(pyrrolidin-1-yl)ethyl]benzamide |
| Molecular Weight: | 554.11 |
| Molecular Formula: | C29 H32 Cl N3 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(CN(CCN1CCCC1)C(c1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3865 |
| logD: | 3.4302 |
| logSw: | -4.5211 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.322 |
| InChI Key: | UBDGIKNQQJBQQC-UHFFFAOYSA-N |