N-(3-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide
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-methylbutanamide
N-(3-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide
Compound characteristics
| Compound ID: | V026-7532 |
| Compound Name: | N-(3-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide |
| Molecular Weight: | 530.48 |
| Molecular Formula: | C25 H28 Br N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1cccc(c1)SC1=C(C(N(CC(C)C)C1=O)=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8787 |
| logD: | 5.8231 |
| logSw: | -5.4332 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.024 |
| InChI Key: | NGFBJUQMMBJIIL-UHFFFAOYSA-N |