N-(3-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide
Chemical Structure Depiction of
N-(3-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide
N-(3-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide
Compound characteristics
| Compound ID: | V025-8872 |
| Compound Name: | N-(3-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide |
| Molecular Weight: | 580.5 |
| Molecular Formula: | C28 H26 Br N3 O4 S |
| Smiles: | CC(C)CN1C(C(=C(C1=O)Sc1cccc(c1)NC(c1cccc(c1)OC)=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1427 |
| logD: | 6.0871 |
| logSw: | -5.4534 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.509 |
| InChI Key: | CDHXZOZHWCQQQH-UHFFFAOYSA-N |