N-(2H-1,3-benzodioxol-5-yl)-N'-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-N'-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea
N-(2H-1,3-benzodioxol-5-yl)-N'-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea
Compound characteristics
| Compound ID: | E983-1755 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-N'-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}urea |
| Molecular Weight: | 397.86 |
| Molecular Formula: | C21 H20 Cl N3 O3 |
| Smiles: | Cc1cc(CNC(Nc2ccc3c(c2)OCO3)=O)c(C)n1c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3716 |
| logD: | 4.3716 |
| logSw: | -4.4946 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.644 |
| InChI Key: | STBZFOBZKMXVLK-UHFFFAOYSA-N |