ethyl 4-{4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamido}benzoate
Chemical Structure Depiction of
ethyl 4-{4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamido}benzoate
ethyl 4-{4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamido}benzoate
Compound characteristics
| Compound ID: | F848-0063 |
| Compound Name: | ethyl 4-{4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamido}benzoate |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C23 H27 N5 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CCCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4929 |
| logD: | 2.4925 |
| logSw: | -3.0159 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.623 |
| InChI Key: | LBMLQCHWBBJEEA-UHFFFAOYSA-N |