N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N-[2-(dimethylamino)ethyl]-N'-ethylthiourea
Chemical Structure Depiction of
N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N-[2-(dimethylamino)ethyl]-N'-ethylthiourea
N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N-[2-(dimethylamino)ethyl]-N'-ethylthiourea
Compound characteristics
| Compound ID: | V015-7687 |
| Compound Name: | N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N-[2-(dimethylamino)ethyl]-N'-ethylthiourea |
| Molecular Weight: | 463.64 |
| Molecular Formula: | C26 H33 N5 O S |
| Salt: | not_available |
| Smiles: | CCNC(N(CCN(C)C)Cc1c(c2ccccc2)noc1N1CCc2ccccc2C1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.3618 |
| logD: | 1.454 |
| logSw: | -4.1359 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.723 |
| InChI Key: | OEPDQOYYQSWQJS-UHFFFAOYSA-N |