N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Compound characteristics
| Compound ID: | F848-0049 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C22 H25 N5 O5 S |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)nnn2CCCC(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5049 |
| logD: | 1.5049 |
| logSw: | -2.5355 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.307 |
| InChI Key: | YMBGOUNQYRKFQP-UHFFFAOYSA-N |