N-(2,5-dimethylphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-(2,5-dimethylphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | L447-0012 |
| Compound Name: | N-(2,5-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(C)c(c1)NC(NCCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1712 |
| logD: | 2.1712 |
| logSw: | -2.9067 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.76 |
| InChI Key: | BVOUILXNOJPKBS-UHFFFAOYSA-N |