N-{4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}-N-[(3-methylphenyl)methyl]-N'-(prop-2-en-1-yl)urea
Chemical Structure Depiction of
N-{4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}-N-[(3-methylphenyl)methyl]-N'-(prop-2-en-1-yl)urea
N-{4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}-N-[(3-methylphenyl)methyl]-N'-(prop-2-en-1-yl)urea
Compound characteristics
| Compound ID: | V027-0605 |
| Compound Name: | N-{4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}-N-[(3-methylphenyl)methyl]-N'-(prop-2-en-1-yl)urea |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C26 H32 N4 O3 |
| Smiles: | CC(N1CCN(CC1)C(Cc1ccc(cc1)N(Cc1cccc(C)c1)C(NCC=C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2015 |
| logD: | 3.2015 |
| logSw: | -3.1865 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.162 |
| InChI Key: | PIXKHLFXHPDXGT-UHFFFAOYSA-N |