N-[(3-methoxyphenyl)methyl]-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-[(3-methoxyphenyl)methyl]-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | L693-0061 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea |
| Molecular Weight: | 422.49 |
| Molecular Formula: | C22 H26 N6 O3 |
| Smiles: | COc1cccc(CNC(NCCn2c3ccc(cc3nn2)C(N2CCCC2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.2179 |
| logD: | 1.2179 |
| logSw: | -1.8643 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.261 |
| InChI Key: | KPXVMUFSEDPZTI-UHFFFAOYSA-N |