N-(2H-1,3-benzodioxol-5-yl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-(2H-1,3-benzodioxol-5-yl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | G373-2855 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea |
| Molecular Weight: | 458.49 |
| Molecular Formula: | C20 H22 N6 O5 S |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)nnn2CCNC(Nc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9622 |
| logD: | 1.9622 |
| logSw: | -2.9655 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.573 |
| InChI Key: | HOYBDLZKYSZWEN-UHFFFAOYSA-N |