N-(3-chloro-4-methoxyphenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
N-(3-chloro-4-methoxyphenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Compound characteristics
| Compound ID: | F848-0100 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide |
| Molecular Weight: | 477.97 |
| Molecular Formula: | C21 H24 Cl N5 O4 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CCCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4022 |
| logD: | 2.4006 |
| logSw: | -3.375 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.5 |
| InChI Key: | QHIQFPBWTSIWHB-UHFFFAOYSA-N |