N-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
Chemical Structure Depiction of
N-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
N-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
Compound characteristics
| Compound ID: | E983-1740 |
| Compound Name: | N-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea |
| Molecular Weight: | 411.89 |
| Molecular Formula: | C22 H22 Cl N3 O3 |
| Smiles: | Cc1cc(CNC(Nc2ccc3c(c2)OCCO3)=O)c(C)n1c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5111 |
| logD: | 3.5111 |
| logSw: | -3.758 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.352 |
| InChI Key: | KDTYHAZMVWAIHC-UHFFFAOYSA-N |