N-(3-{[4-(4-bromoanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-N'-(4-methoxyphenyl)urea
Chemical Structure Depiction of
N-(3-{[4-(4-bromoanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-N'-(4-methoxyphenyl)urea
N-(3-{[4-(4-bromoanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-N'-(4-methoxyphenyl)urea
Compound characteristics
| Compound ID: | V031-2757 |
| Compound Name: | N-(3-{[4-(4-bromoanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-N'-(4-methoxyphenyl)urea |
| Molecular Weight: | 615.51 |
| Molecular Formula: | C30 H23 Br N4 O4 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)NC(Nc1cccc(c1)SC1=C(C(N(C1=O)c1ccccc1)=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.4841 |
| logD: | 6.4839 |
| logSw: | -5.705 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.838 |
| InChI Key: | WNDIEAJRMJTFQG-UHFFFAOYSA-N |