N-(2-methoxy-5-methylphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-(2-methoxy-5-methylphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-(2-methoxy-5-methylphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | L447-0041 |
| Compound Name: | N-(2-methoxy-5-methylphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C21 H26 N6 O4 S |
| Smiles: | Cc1ccc(c(c1)NC(NCCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.967 |
| logD: | 1.9669 |
| logSw: | -2.936 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.391 |
| InChI Key: | TZLXPOQBEHXGKG-UHFFFAOYSA-N |