N-(3-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(3-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide
N-(3-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V030-6043 |
| Compound Name: | N-(3-{[4-(4-bromoanilino)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)thiophene-2-carboxamide |
| Molecular Weight: | 556.5 |
| Molecular Formula: | C25 H22 Br N3 O3 S2 |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(C(=C(C1=O)Sc1cccc(c1)NC(c1cccs1)=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9931 |
| logD: | 5.9375 |
| logSw: | -5.4076 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.984 |
| InChI Key: | UYSTZEFMKVWMCG-UHFFFAOYSA-N |