N-(2-chloro-4,6-dimethoxyphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-(2-chloro-4,6-dimethoxyphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-(2-chloro-4,6-dimethoxyphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | G373-2845 |
| Compound Name: | N-(2-chloro-4,6-dimethoxyphenyl)-N'-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}urea |
| Molecular Weight: | 508.98 |
| Molecular Formula: | C21 H25 Cl N6 O5 S |
| Smiles: | COc1cc(c(c(c1)[Cl])NC(NCCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.0668 |
| logD: | 2.0656 |
| logSw: | -3.0569 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.237 |
| InChI Key: | ASVVCUHGNZMICM-UHFFFAOYSA-N |