ethyl 1-{4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanoyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanoyl}piperidine-4-carboxylate
ethyl 1-{4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanoyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | F848-0035 |
| Compound Name: | ethyl 1-{4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanoyl}piperidine-4-carboxylate |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C22 H31 N5 O5 S |
| Smiles: | CCOC(C1CCN(CC1)C(CCCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2098 |
| logD: | 1.2098 |
| logSw: | -2.4357 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.866 |
| InChI Key: | ZAOCFUWQCQTHRB-UHFFFAOYSA-N |