3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]-N-(3,4,5-trimethoxyphenyl)propanamide
Chemical Structure Depiction of
3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]-N-(3,4,5-trimethoxyphenyl)propanamide
3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]-N-(3,4,5-trimethoxyphenyl)propanamide
Compound characteristics
| Compound ID: | F514-0060 |
| Compound Name: | 3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]-N-(3,4,5-trimethoxyphenyl)propanamide |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C22 H27 N5 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4921 |
| logD: | 1.491 |
| logSw: | -2.5729 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.847 |
| InChI Key: | RLNYVVVIZHOCMX-UHFFFAOYSA-N |