N-[(3S,5S)-1-[(5-methylthiophen-2-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(5-methylthiophen-2-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[(3S,5S)-1-[(5-methylthiophen-2-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-1002 |
| Compound Name: | N-[(3S,5S)-1-[(5-methylthiophen-2-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C20 H23 N5 O S |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2Cc2ccc(C)s2)NC(c2ccccc2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.7507 |
| logD: | 2.7232 |
| logSw: | -3.1178 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.493 |
| InChI Key: | OXVQWGCGKCAVFQ-AEFFLSMTSA-N |