ethyl 3-{3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamido}benzoate
Chemical Structure Depiction of
ethyl 3-{3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamido}benzoate
ethyl 3-{3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamido}benzoate
Compound characteristics
| Compound ID: | F514-0034 |
| Compound Name: | ethyl 3-{3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamido}benzoate |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C22 H25 N5 O5 S |
| Smiles: | CCOC(c1cccc(c1)NC(CCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8935 |
| logD: | 2.8935 |
| logSw: | -3.508 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.623 |
| InChI Key: | FKWVPBFQVWXVDI-UHFFFAOYSA-N |