5-(3-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}-3-oxopropyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(3-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}-3-oxopropyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-(3-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}-3-oxopropyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-0621 |
| Compound Name: | 5-(3-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}-3-oxopropyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C24 H27 N5 O2 S |
| Smiles: | C(CNC(CCc1nnc(C(Nc2ccccc2)=O)s1)=O)CN1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 2.5188 |
| logD: | 1.3147 |
| logSw: | -2.844 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.015 |
| InChI Key: | LMBBMJHNYLDVLR-UHFFFAOYSA-N |