N-{[1-(2-methoxyethyl)-2-(phenylmethanesulfonyl)-1H-imidazol-5-yl]methyl}-N'-(4-methoxyphenyl)-N-(prop-2-en-1-yl)thiourea
Chemical Structure Depiction of
N-{[1-(2-methoxyethyl)-2-(phenylmethanesulfonyl)-1H-imidazol-5-yl]methyl}-N'-(4-methoxyphenyl)-N-(prop-2-en-1-yl)thiourea
N-{[1-(2-methoxyethyl)-2-(phenylmethanesulfonyl)-1H-imidazol-5-yl]methyl}-N'-(4-methoxyphenyl)-N-(prop-2-en-1-yl)thiourea
Compound characteristics
| Compound ID: | V024-2617 |
| Compound Name: | N-{[1-(2-methoxyethyl)-2-(phenylmethanesulfonyl)-1H-imidazol-5-yl]methyl}-N'-(4-methoxyphenyl)-N-(prop-2-en-1-yl)thiourea |
| Molecular Weight: | 514.67 |
| Molecular Formula: | C25 H30 N4 O4 S2 |
| Salt: | not_available |
| Smiles: | COCCn1c(CN(CC=C)C(Nc2ccc(cc2)OC)=S)cnc1S(Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6817 |
| logD: | 3.6817 |
| logSw: | -3.8216 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.227 |
| InChI Key: | GROXXNRNTWBNHL-UHFFFAOYSA-N |