N-(3-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-(3-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3,4,5-trimethoxybenzamide
N-(3-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | V028-2053 |
| Compound Name: | N-(3-{[4-(4-fluoroanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 595.65 |
| Molecular Formula: | C30 H30 F N3 O7 S |
| Salt: | not_available |
| Smiles: | COCCCN1C(C(=C(C1=O)Sc1cccc(c1)NC(c1cc(c(c(c1)OC)OC)OC)=O)Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0094 |
| logD: | 3.9538 |
| logSw: | -4.0983 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.264 |
| InChI Key: | CQRNKYLETKAYJH-UHFFFAOYSA-N |