N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N'-ethyl-N-(2-methoxyethyl)thiourea
Chemical Structure Depiction of
N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N'-ethyl-N-(2-methoxyethyl)thiourea
N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N'-ethyl-N-(2-methoxyethyl)thiourea
Compound characteristics
| Compound ID: | V012-1607 |
| Compound Name: | N-{[5-(3,4-dihydroisoquinolin-2(1H)-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}-N'-ethyl-N-(2-methoxyethyl)thiourea |
| Molecular Weight: | 450.6 |
| Molecular Formula: | C25 H30 N4 O2 S |
| Smiles: | CCNC(N(CCOC)Cc1c(c2ccccc2)noc1N1CCc2ccccc2C1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.3741 |
| logD: | 4.3741 |
| logSw: | -4.1708 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.2 |
| InChI Key: | MJPKJBYXXMQWLU-UHFFFAOYSA-N |