benzyl N'-[2-(4-bromophenyl)-2-oxoethyl]-N-(2-phenylethyl)-N-(prop-2-en-1-yl)carbamimidothioate--hydrogen bromide (1/1)
Chemical Structure Depiction of
benzyl N'-[2-(4-bromophenyl)-2-oxoethyl]-N-(2-phenylethyl)-N-(prop-2-en-1-yl)carbamimidothioate--hydrogen bromide (1/1)
benzyl N'-[2-(4-bromophenyl)-2-oxoethyl]-N-(2-phenylethyl)-N-(prop-2-en-1-yl)carbamimidothioate--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8010-0056 |
| Compound Name: | benzyl N'-[2-(4-bromophenyl)-2-oxoethyl]-N-(2-phenylethyl)-N-(prop-2-en-1-yl)carbamimidothioate--hydrogen bromide (1/1) |
| Molecular Weight: | 588.4 |
| Molecular Formula: | C27 H27 Br N2 O S |
| Salt: | HBr |
| Smiles: | C=CCN(CCc1ccccc1)/C(=N/CC(c1ccc(cc1)[Br])=O)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6992 |
| logD: | 6.6878 |
| logSw: | -6.1177 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.8637 |
| InChI Key: | LUQLUYXEDZHSBR-OHYPFYFLSA-N |