N-(4-{[4-(4-bromoanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzene-1-sulfonamide
Chemical Structure Depiction of
N-(4-{[4-(4-bromoanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzene-1-sulfonamide
N-(4-{[4-(4-bromoanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V031-2579 |
| Compound Name: | N-(4-{[4-(4-bromoanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzene-1-sulfonamide |
| Molecular Weight: | 620.52 |
| Molecular Formula: | C26 H23 Br F N3 O5 S2 |
| Salt: | not_available |
| Smiles: | COCCCN1C(C(=C(C1=O)Sc1ccc(cc1)NS(c1ccc(cc1)F)(=O)=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1169 |
| logD: | 5.0226 |
| logSw: | -4.8282 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.845 |
| InChI Key: | XJERXEBTLIKYBF-UHFFFAOYSA-N |