N-[rel-(3R,4S)-1-[(4-methoxyphenoxy)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(4-methoxyphenoxy)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-1-[(4-methoxyphenoxy)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
Compound ID: | SB33-1206 |
Compound Name: | N-[rel-(3R,4S)-1-[(4-methoxyphenoxy)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
Molecular Weight: | 435.48 |
Molecular Formula: | C23 H25 N5 O4 |
Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(c2ccccc2)=O)C(COc2ccc(cc2)OC)=O)[nH]n1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 1.3299 |
logD: | 1.3294 |
logSw: | -2.1118 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 89.369 |
InChI Key: | KUFBDCSNMOZWLK-PMACEKPBSA-N |