N-(3-methylbutyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-(3-methylbutyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-(3-methylbutyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | L447-0052 |
| Compound Name: | N-(3-methylbutyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C18 H28 N6 O3 S |
| Smiles: | CC(C)CCNC(NCCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6461 |
| logD: | 1.6461 |
| logSw: | -2.6109 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.893 |
| InChI Key: | MBIQJLYFSHCWFK-UHFFFAOYSA-N |