N-(3-{[4-(4-bromoanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide
Chemical Structure Depiction of
N-(3-{[4-(4-bromoanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide
N-(3-{[4-(4-bromoanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | V027-9217 |
| Compound Name: | N-(3-{[4-(4-bromoanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide |
| Molecular Weight: | 626.53 |
| Molecular Formula: | C29 H28 Br N3 O6 S |
| Salt: | not_available |
| Smiles: | COCCCN1C(C(=C(C1=O)Sc1cccc(c1)NC(c1ccc(cc1OC)OC)=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.058 |
| logD: | 5.0024 |
| logSw: | -4.584 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.461 |
| InChI Key: | KLKQRUGAOGIAHD-UHFFFAOYSA-N |