N-(3-bromophenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-(3-bromophenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-(3-bromophenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | L447-0024 |
| Compound Name: | N-(3-bromophenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea |
| Molecular Weight: | 493.38 |
| Molecular Formula: | C19 H21 Br N6 O3 S |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)nnn2CCNC(Nc1cccc(c1)[Br])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9372 |
| logD: | 2.9371 |
| logSw: | -3.4733 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.458 |
| InChI Key: | DNMIJWSBESOISX-UHFFFAOYSA-N |