4-(5-amino-1,3,4-thiadiazol-2-yl)-2,2-bis[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-phenylbutan-1-one
Chemical Structure Depiction of
4-(5-amino-1,3,4-thiadiazol-2-yl)-2,2-bis[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-phenylbutan-1-one
4-(5-amino-1,3,4-thiadiazol-2-yl)-2,2-bis[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-phenylbutan-1-one
Compound characteristics
| Compound ID: | 8010-1988 |
| Compound Name: | 4-(5-amino-1,3,4-thiadiazol-2-yl)-2,2-bis[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-phenylbutan-1-one |
| Molecular Weight: | 501.65 |
| Molecular Formula: | C20 H23 N9 O S3 |
| Smiles: | C(CC(CCc1nnc(N)s1)(CCc1nnc(N)s1)C(c1ccccc1)=O)c1nnc(N)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.7322 |
| logD: | 1.7322 |
| logSw: | -2.1374 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 147.554 |
| InChI Key: | JJDAFQRUQCFQBE-UHFFFAOYSA-N |