N-[(4-chlorophenyl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
N-[(4-chlorophenyl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide
Compound characteristics
| Compound ID: | F514-0025 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propanamide |
| Molecular Weight: | 447.94 |
| Molecular Formula: | C20 H22 Cl N5 O3 S |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)nnn2CCC(NCc1ccc(cc1)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4065 |
| logD: | 2.4065 |
| logSw: | -3.4365 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.191 |
| InChI Key: | WGJIQUGKUDMCER-UHFFFAOYSA-N |