N-(4-bromophenyl)-2-{1-(3-chloro-4-methoxyphenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{1-(3-chloro-4-methoxyphenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamide
N-(4-bromophenyl)-2-{1-(3-chloro-4-methoxyphenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamide
Compound characteristics
| Compound ID: | C089-0209 |
| Compound Name: | N-(4-bromophenyl)-2-{1-(3-chloro-4-methoxyphenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamide |
| Molecular Weight: | 623.01 |
| Molecular Formula: | C27 H33 Br Cl N5 O3 S |
| Smiles: | CCN1CCN(CCCN2C(CC(Nc3ccc(cc3)[Br])=O)C(N(C2=S)c2ccc(c(c2)[Cl])OC)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3996 |
| logD: | 2.4514 |
| logSw: | -3.751 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.525 |
| InChI Key: | OOXBCKCOGHQLKZ-QHCPKHFHSA-N |