N-[(4-methylphenyl)methyl]-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-[(4-methylphenyl)methyl]-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | L693-0055 |
| Compound Name: | N-[(4-methylphenyl)methyl]-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea |
| Molecular Weight: | 406.49 |
| Molecular Formula: | C22 H26 N6 O2 |
| Smiles: | Cc1ccc(CNC(NCCn2c3ccc(cc3nn2)C(N2CCCC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.544 |
| logD: | 1.544 |
| logSw: | -2.1214 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.717 |
| InChI Key: | SCECUMVFLTURST-UHFFFAOYSA-N |