dimethyl 2-({2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-({2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzene-1,4-dicarboxylate
dimethyl 2-({2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | G373-2847 |
| Compound Name: | dimethyl 2-({2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzene-1,4-dicarboxylate |
| Molecular Weight: | 530.56 |
| Molecular Formula: | C23 H26 N6 O7 S |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(NCCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9449 |
| logD: | 1.9372 |
| logSw: | -3.0198 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 133.108 |
| InChI Key: | XBSXWOPGUAJQFB-UHFFFAOYSA-N |