N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N'-ethylthiourea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N'-ethylthiourea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N'-ethylthiourea
Compound characteristics
| Compound ID: | Y500-4837 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N'-ethylthiourea |
| Molecular Weight: | 490.37 |
| Molecular Formula: | C21 H20 Br N3 O4 S |
| Smiles: | CCNC(N(Cc1ccc2c(c1)OCO2)C1CC(N(C1=O)c1ccc(cc1)[Br])=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9733 |
| logD: | 2.9733 |
| logSw: | -3.3404 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.472 |
| InChI Key: | ROJNLRWPUGWHBE-MRXNPFEDSA-N |