1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propan-1-one
Chemical Structure Depiction of
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propan-1-one
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propan-1-one
Compound characteristics
| Compound ID: | F514-0056 |
| Compound Name: | 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]propan-1-one |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C25 H32 N6 O3 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CCn1c2ccc(cc2nn1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.051 |
| logD: | 3.051 |
| logSw: | -3.4076 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.072 |
| InChI Key: | AHTGFIVVFKYJAO-UHFFFAOYSA-N |