N-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)-N-{[1-(2-methylpropyl)-2-(phenylmethanesulfonyl)-1H-imidazol-5-yl]methyl}thiourea
Chemical Structure Depiction of
N-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)-N-{[1-(2-methylpropyl)-2-(phenylmethanesulfonyl)-1H-imidazol-5-yl]methyl}thiourea
N-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)-N-{[1-(2-methylpropyl)-2-(phenylmethanesulfonyl)-1H-imidazol-5-yl]methyl}thiourea
Compound characteristics
| Compound ID: | V021-0436 |
| Compound Name: | N-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)-N-{[1-(2-methylpropyl)-2-(phenylmethanesulfonyl)-1H-imidazol-5-yl]methyl}thiourea |
| Molecular Weight: | 543.75 |
| Molecular Formula: | C27 H37 N5 O3 S2 |
| Salt: | not_available |
| Smiles: | CC(C)Cn1c(CN(CCN(C)C)C(Nc2ccc(cc2)OC)=S)cnc1S(Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3894 |
| logD: | 1.7083 |
| logSw: | -4.0425 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.772 |
| InChI Key: | DRCBVUPTKMHJEM-UHFFFAOYSA-N |