ethyl 4-[({2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)methyl]cyclohexane-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[({2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)methyl]cyclohexane-1-carboxylate
ethyl 4-[({2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)methyl]cyclohexane-1-carboxylate
Compound characteristics
| Compound ID: | G373-2860 |
| Compound Name: | ethyl 4-[({2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)methyl]cyclohexane-1-carboxylate |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C23 H34 N6 O5 S |
| Smiles: | CCOC(C1CCC(CC1)CNC(NCCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2746 |
| logD: | 2.2746 |
| logSw: | -2.969 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.726 |
| InChI Key: | MSKWLEJSWZNYPD-UHFFFAOYSA-N |