N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N'-ethyl-N-(3-methylbutyl)thiourea
Chemical Structure Depiction of
N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N'-ethyl-N-(3-methylbutyl)thiourea
N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N'-ethyl-N-(3-methylbutyl)thiourea
Compound characteristics
| Compound ID: | V007-1576 |
| Compound Name: | N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N'-ethyl-N-(3-methylbutyl)thiourea |
| Molecular Weight: | 462.66 |
| Molecular Formula: | C27 H34 N4 O S |
| Smiles: | CCNC(N(CCC(C)C)Cc1c(c2ccccc2)noc1N1CCc2ccccc2C1)=S |
| Stereo: | ACHIRAL |
| logP: | 6.0877 |
| logD: | 6.0877 |
| logSw: | -5.619 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.857 |
| InChI Key: | WHWISPMYHCFZBS-UHFFFAOYSA-N |