N-(2,5-dimethoxyphenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-(2,5-dimethoxyphenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | G373-3652 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea |
| Molecular Weight: | 438.49 |
| Molecular Formula: | C22 H26 N6 O4 |
| Smiles: | COc1ccc(c(c1)NC(NCCn1c2ccc(cc2nn1)C(N1CCCC1)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.5564 |
| logD: | 1.5563 |
| logSw: | -2.1236 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.872 |
| InChI Key: | QKEZZKYKZQCDLB-UHFFFAOYSA-N |