ethyl N-[({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]glycinate
Chemical Structure Depiction of
ethyl N-[({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]glycinate
ethyl N-[({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]glycinate
Compound characteristics
| Compound ID: | C592-2646 |
| Compound Name: | ethyl N-[({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]glycinate |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C21 H25 N5 O3 S |
| Smiles: | CCOC(CNC(CSc1nnc(Cc2cccn2C)n1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5442 |
| logD: | 2.5442 |
| logSw: | -2.5676 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.745 |
| InChI Key: | FSFMPXMVRSHTHB-UHFFFAOYSA-N |