N-(3,4-dimethylphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-(3,4-dimethylphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | L447-0011 |
| Compound Name: | N-(3,4-dimethylphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C21 H26 N6 O3 S |
| Smiles: | Cc1ccc(cc1C)NC(NCCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1165 |
| logD: | 3.1165 |
| logSw: | -3.3699 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.458 |
| InChI Key: | HKRSPDRDBROFBH-UHFFFAOYSA-N |