N-(5-chloro-2-methylphenyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
N-(5-chloro-2-methylphenyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
Compound characteristics
| Compound ID: | F514-0026 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide |
| Molecular Weight: | 447.94 |
| Molecular Formula: | C20 H22 Cl N5 O3 S |
| Smiles: | Cc1ccc(cc1NC(CCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.5686 |
| logD: | 2.568 |
| logSw: | -3.5233 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.171 |
| InChI Key: | XAPYKAGVVBFYLU-UHFFFAOYSA-N |