N'-benzyl-N-[(1-{[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl}-1H-pyrrol-2-yl)methyl]-N-[(thiophen-2-yl)methyl]urea
Chemical Structure Depiction of
N'-benzyl-N-[(1-{[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl}-1H-pyrrol-2-yl)methyl]-N-[(thiophen-2-yl)methyl]urea
N'-benzyl-N-[(1-{[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl}-1H-pyrrol-2-yl)methyl]-N-[(thiophen-2-yl)methyl]urea
Compound characteristics
| Compound ID: | V008-8228 |
| Compound Name: | N'-benzyl-N-[(1-{[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl}-1H-pyrrol-2-yl)methyl]-N-[(thiophen-2-yl)methyl]urea |
| Molecular Weight: | 528.7 |
| Molecular Formula: | C29 H28 N4 O2 S2 |
| Smiles: | COc1ccc(cc1)c1nc(Cn2cccc2CN(Cc2cccs2)C(NCc2ccccc2)=O)cs1 |
| Stereo: | ACHIRAL |
| logP: | 6.0062 |
| logD: | 6.0062 |
| logSw: | -5.5653 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.183 |
| InChI Key: | NJMBGVKZORVKNY-UHFFFAOYSA-N |