N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[5-(piperidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[5-(piperidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[5-(piperidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Compound characteristics
| Compound ID: | F848-0173 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[5-(piperidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C23 H27 N5 O5 S |
| Smiles: | C1CCN(CC1)S(c1ccc2c(c1)nnn2CCCC(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8354 |
| logD: | 1.8354 |
| logSw: | -2.6685 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.941 |
| InChI Key: | FYOFXSBFWFHAJF-UHFFFAOYSA-N |