N-[(3-methoxyphenyl)methyl]-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-[(3-methoxyphenyl)methyl]-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | L447-0044 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C21 H26 N6 O4 S |
| Smiles: | COc1cccc(CNC(NCCn2c3ccc(cc3nn2)S(N2CCCC2)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.475 |
| logD: | 1.475 |
| logSw: | -2.4376 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.324 |
| InChI Key: | FQERNZURZNJUBD-UHFFFAOYSA-N |