N-(1,3-benzothiazol-2-yl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
N-(1,3-benzothiazol-2-yl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Compound characteristics
| Compound ID: | F848-0058 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C21 H22 N6 O3 S2 |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)nnn2CCCC(Nc1nc2ccccc2s1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6612 |
| logD: | 2.661 |
| logSw: | -3.2652 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.631 |
| InChI Key: | CCMWKHACEJHFKP-UHFFFAOYSA-N |