N-(4-chlorophenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-(4-chlorophenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-(4-chlorophenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | L447-0008 |
| Compound Name: | N-(4-chlorophenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea |
| Molecular Weight: | 448.93 |
| Molecular Formula: | C19 H21 Cl N6 O3 S |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)nnn2CCNC(Nc1ccc(cc1)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7238 |
| logD: | 2.7238 |
| logSw: | -3.6792 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.458 |
| InChI Key: | NGJKLFGZJSSMDB-UHFFFAOYSA-N |