N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2,4-dimethoxy-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
Chemical Structure Depiction of
N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2,4-dimethoxy-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2,4-dimethoxy-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | V001-1595 |
| Compound Name: | N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2,4-dimethoxy-N-[2-(pyrrolidin-1-yl)ethyl]benzamide |
| Molecular Weight: | 553.7 |
| Molecular Formula: | C30 H36 F N3 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccsc1CN(Cc1ccc(cc1)F)C(CN(CCN1CCCC1)C(c1ccc(cc1OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2127 |
| logD: | 3.2565 |
| logSw: | -4.2667 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.381 |
| InChI Key: | TYIQEPNMGUVUJH-UHFFFAOYSA-N |