ethyl 4-{4-[2-(4-bromoanilino)-2-oxoethyl]-3-[3-(4-ethylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{4-[2-(4-bromoanilino)-2-oxoethyl]-3-[3-(4-ethylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{4-[2-(4-bromoanilino)-2-oxoethyl]-3-[3-(4-ethylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | C148-0548 |
| Compound Name: | ethyl 4-{4-[2-(4-bromoanilino)-2-oxoethyl]-3-[3-(4-ethylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 630.6 |
| Molecular Formula: | C29 H36 Br N5 O4 S |
| Smiles: | CCN1CCN(CCCN2C(CC(Nc3ccc(cc3)[Br])=O)C(N(C2=S)c2ccc(cc2)C(=O)OCC)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6257 |
| logD: | 2.6775 |
| logSw: | -3.7981 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.648 |
| InChI Key: | NTAQMIOTFUKDBI-VWLOTQADSA-N |