N-(3,5-dimethylphenyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
N-(3,5-dimethylphenyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
Compound characteristics
| Compound ID: | F514-0084 |
| Compound Name: | N-(3,5-dimethylphenyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C21 H25 N5 O3 S |
| Smiles: | Cc1cc(C)cc(c1)NC(CCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8045 |
| logD: | 2.8045 |
| logSw: | -3.4188 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.869 |
| InChI Key: | OAMKNFJOWXIWAZ-UHFFFAOYSA-N |