N-(3-{[4-(2,4-dimethoxyanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(3-{[4-(2,4-dimethoxyanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide
N-(3-{[4-(2,4-dimethoxyanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V027-9522 |
| Compound Name: | N-(3-{[4-(2,4-dimethoxyanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide |
| Molecular Weight: | 575.64 |
| Molecular Formula: | C29 H22 F N3 O5 S2 |
| Salt: | not_available |
| Smiles: | COc1ccc(c(c1)OC)NC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Sc1cccc(c1)NC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1491 |
| logD: | 5.1489 |
| logSw: | -5.0888 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.577 |
| InChI Key: | PETDREAUIIMCMX-UHFFFAOYSA-N |