N-(5-chloro-2-methoxyphenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-(5-chloro-2-methoxyphenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | G373-3651 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea |
| Molecular Weight: | 442.9 |
| Molecular Formula: | C21 H23 Cl N6 O3 |
| Smiles: | COc1ccc(cc1NC(NCCn1c2ccc(cc2nn1)C(N1CCCC1)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.1258 |
| logD: | 2.1253 |
| logSw: | -3.3289 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.328 |
| InChI Key: | PHHQUZCNJPFANY-UHFFFAOYSA-N |