N-(4-acetylphenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
N-(4-acetylphenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Compound characteristics
| Compound ID: | F848-0002 |
| Compound Name: | N-(4-acetylphenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C22 H25 N5 O4 S |
| Smiles: | CC(c1ccc(cc1)NC(CCCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4336 |
| logD: | 1.4324 |
| logSw: | -2.5314 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.696 |
| InChI Key: | CEXPSAKUEHVMEC-UHFFFAOYSA-N |