N-[(2-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
N-[(2-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Compound characteristics
| Compound ID: | F848-0082 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C22 H27 N5 O4 S |
| Smiles: | COc1ccccc1CNC(CCCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8131 |
| logD: | 1.8131 |
| logSw: | -2.5733 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.822 |
| InChI Key: | PQQQGFQTUBTFAI-UHFFFAOYSA-N |