ethyl 2-[(7-phenyl-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]butanoate
Chemical Structure Depiction of
ethyl 2-[(7-phenyl-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]butanoate
ethyl 2-[(7-phenyl-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]butanoate
Compound characteristics
| Compound ID: | F595-0025 |
| Compound Name: | ethyl 2-[(7-phenyl-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl)sulfanyl]butanoate |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C16 H20 N4 O2 S |
| Smiles: | CCC(C(=O)OCC)Sc1nnc2N(CCn12)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4912 |
| logD: | 3.478 |
| logSw: | -3.5124 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.748 |
| InChI Key: | MPQCEOIGTYPANA-ZDUSSCGKSA-N |