N-(1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl)-N'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiourea
Chemical Structure Depiction of
N-(1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl)-N'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiourea
N-(1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl)-N'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiourea
Compound characteristics
| Compound ID: | 8010-5631 |
| Compound Name: | N-(1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl)-N'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiourea |
| Molecular Weight: | 578.01 |
| Molecular Formula: | C27 H23 Cl F3 N3 O4 S |
| Smiles: | COc1ccc(CCN(C2CC(N(C2=O)c2ccc(cc2)OC(F)(F)[Cl])=O)C(Nc2ccc(cc2)F)=S)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.196 |
| logD: | 5.196 |
| logSw: | -5.6127 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.156 |
| InChI Key: | HZHFOKITTCUHGU-HSZRJFAPSA-N |