N-[4-({4-anilino-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-N'-(4-methoxyphenyl)urea
Chemical Structure Depiction of
N-[4-({4-anilino-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-N'-(4-methoxyphenyl)urea
N-[4-({4-anilino-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-N'-(4-methoxyphenyl)urea
Compound characteristics
| Compound ID: | V029-8616 |
| Compound Name: | N-[4-({4-anilino-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-N'-(4-methoxyphenyl)urea |
| Molecular Weight: | 604.61 |
| Molecular Formula: | C31 H23 F3 N4 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)NC(Nc1ccc(cc1)SC1=C(C(N(C1=O)c1ccc(cc1)C(F)(F)F)=O)Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5619 |
| logD: | 6.5619 |
| logSw: | -5.8621 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.838 |
| InChI Key: | NJEMUHOQMJWSQH-UHFFFAOYSA-N |