N-(5-chloro-2-methylphenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
N-(5-chloro-2-methylphenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Compound characteristics
| Compound ID: | F848-0025 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide |
| Molecular Weight: | 461.97 |
| Molecular Formula: | C21 H24 Cl N5 O3 S |
| Smiles: | Cc1ccc(cc1NC(CCCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.3487 |
| logD: | 2.3474 |
| logSw: | -3.4469 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.171 |
| InChI Key: | DHUQUITZGJJGJQ-UHFFFAOYSA-N |