N-(5-chloro-2-methoxyphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-(5-chloro-2-methoxyphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | L447-0015 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea |
| Molecular Weight: | 478.96 |
| Molecular Formula: | C20 H23 Cl N6 O4 S |
| Smiles: | COc1ccc(cc1NC(NCCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.3829 |
| logD: | 2.3824 |
| logSw: | -3.4469 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.391 |
| InChI Key: | ICRAZGKPAGYSQZ-UHFFFAOYSA-N |