1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-phenylcarbamimidothioate
Chemical Structure Depiction of
1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-phenylcarbamimidothioate
1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-phenylcarbamimidothioate
Compound characteristics
| Compound ID: | 8008-2001 |
| Compound Name: | 1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-phenylcarbamimidothioate |
| Molecular Weight: | 493.97 |
| Molecular Formula: | C25 H20 Cl N3 O4 S |
| Smiles: | C1C(C(N(C1=O)c1cccc(c1)[Cl])=O)SC(/NCc1ccc2c(c1)OCO2)=N/c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0312 |
| logD: | 4.0264 |
| logSw: | -4.4387 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.883 |
| InChI Key: | IKDCDBLRPSOAHU-JOCHJYFZSA-N |