N-(3-{[4-anilino-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-N'-(3-methoxyphenyl)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'-(3-methoxyphenyl)urea
N-(3-{[4-anilino-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-N'-(3-methoxyphenyl)urea
Compound characteristics
| Compound ID: | V029-8312 |
| Compound Name: | N-(3-{[4-anilino-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-N'-(3-methoxyphenyl)urea |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C28 H28 N4 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(C(=C(C1=O)Sc1cccc(c1)NC(Nc1cccc(c1)OC)=O)Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7719 |
| logD: | 5.7709 |
| logSw: | -5.4337 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.721 |
| InChI Key: | QBZMSKZKGGLIEQ-UHFFFAOYSA-N |