N-(2-{[(4-fluorophenyl)methyl][(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,3-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]butanamide
Chemical Structure Depiction of
N-(2-{[(4-fluorophenyl)methyl][(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,3-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]butanamide
N-(2-{[(4-fluorophenyl)methyl][(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,3-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]butanamide
Compound characteristics
| Compound ID: | V002-7584 |
| Compound Name: | N-(2-{[(4-fluorophenyl)methyl][(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,3-dimethyl-N-[2-(pyrrolidin-1-yl)ethyl]butanamide |
| Molecular Weight: | 487.68 |
| Molecular Formula: | C27 H38 F N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(CN(Cc2ccc(cc2)F)C(CN(CCN2CCCC2)C(CC(C)(C)C)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8029 |
| logD: | 3.1266 |
| logSw: | -4.4765 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.951 |
| InChI Key: | KJUCPKSVYPHMDE-UHFFFAOYSA-N |