N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,4-dimethoxyphenyl)urea
Chemical Structure Depiction of
N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,4-dimethoxyphenyl)urea
N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,4-dimethoxyphenyl)urea
Compound characteristics
| Compound ID: | G331-0569 |
| Compound Name: | N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,4-dimethoxyphenyl)urea |
| Molecular Weight: | 399.88 |
| Molecular Formula: | C21 H22 Cl N3 O3 |
| Smiles: | COc1ccc(cc1OC)NC(NCc1cccn1Cc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.939 |
| logD: | 3.939 |
| logSw: | -4.4677 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.195 |
| InChI Key: | IWBFRENSTVOIHC-UHFFFAOYSA-N |