N-(3-{[4-anilino-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-N'-(2,4-dichlorophenyl)urea
Chemical Structure Depiction of
N-(3-{[4-anilino-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-N'-(2,4-dichlorophenyl)urea
N-(3-{[4-anilino-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-N'-(2,4-dichlorophenyl)urea
Compound characteristics
| Compound ID: | V029-8288 |
| Compound Name: | N-(3-{[4-anilino-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-N'-(2,4-dichlorophenyl)urea |
| Molecular Weight: | 555.48 |
| Molecular Formula: | C27 H24 Cl2 N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(C(=C(C1=O)Sc1cccc(c1)NC(Nc1ccc(cc1[Cl])[Cl])=O)Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6481 |
| logD: | 6.6472 |
| logSw: | -6.1919 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.479 |
| InChI Key: | NKGORHFDOFKPKD-UHFFFAOYSA-N |