ethyl N-({2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamoyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-({2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamoyl)-beta-alaninate
ethyl N-({2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamoyl)-beta-alaninate
Compound characteristics
| Compound ID: | G373-2858 |
| Compound Name: | ethyl N-({2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamoyl)-beta-alaninate |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C18 H26 N6 O5 S |
| Smiles: | CCOC(CCNC(NCCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2516 |
| logD: | 0.2516 |
| logSw: | -2.4302 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.052 |
| InChI Key: | VWFZEIJOKRSBTR-UHFFFAOYSA-N |