N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-[2-(pyrrolidin-1-yl)ethyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-[2-(pyrrolidin-1-yl)ethyl]thiophene-2-carboxamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-[2-(pyrrolidin-1-yl)ethyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V002-8368 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-[2-(pyrrolidin-1-yl)ethyl]thiophene-2-carboxamide |
| Molecular Weight: | 525.69 |
| Molecular Formula: | C27 H31 N3 O4 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(CN(CCN1CCCC1)C(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1089 |
| logD: | 2.865 |
| logSw: | -4.1154 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.341 |
| InChI Key: | NMJURBKNXYPFKE-UHFFFAOYSA-N |