ethyl 3-(2-{1-(3-chloro-4-methoxyphenyl)-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 3-(2-{1-(3-chloro-4-methoxyphenyl)-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
ethyl 3-(2-{1-(3-chloro-4-methoxyphenyl)-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C148-0785 |
| Compound Name: | ethyl 3-(2-{1-(3-chloro-4-methoxyphenyl)-5-oxo-3-[(pyridin-2-yl)methyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 553.04 |
| Molecular Formula: | C27 H25 Cl N4 O5 S |
| Smiles: | CCOC(c1cccc(c1)NC(CC1C(N(C(N1Cc1ccccn1)=S)c1ccc(c(c1)[Cl])OC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7327 |
| logD: | 3.7327 |
| logSw: | -4.1668 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.324 |
| InChI Key: | RWLIPMLTLMIXEE-JOCHJYFZSA-N |