methyl 3-({2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 3-({2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
methyl 3-({2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | G373-2856 |
| Compound Name: | methyl 3-({2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C21 H24 N6 O5 S |
| Smiles: | COC(c1cccc(c1)NC(NCCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4004 |
| logD: | 2.4004 |
| logSw: | -3.0344 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.632 |
| InChI Key: | WWEVCDFURWDTFD-UHFFFAOYSA-N |