N-(butan-2-yl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-(butan-2-yl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-(butan-2-yl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | L447-0051 |
| Compound Name: | N-(butan-2-yl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C17 H26 N6 O3 S |
| Smiles: | CCC(C)NC(NCCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1736 |
| logD: | 1.1736 |
| logSw: | -2.4521 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.493 |
| InChI Key: | NHFRCZXMSHNZNW-ZDUSSCGKSA-N |