1-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-N,N-dimethyl-1H-benzotriazole-5-sulfonamide
Chemical Structure Depiction of
1-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-N,N-dimethyl-1H-benzotriazole-5-sulfonamide
1-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-N,N-dimethyl-1H-benzotriazole-5-sulfonamide
Compound characteristics
| Compound ID: | F514-0521 |
| Compound Name: | 1-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-N,N-dimethyl-1H-benzotriazole-5-sulfonamide |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C21 H25 F N6 O3 S |
| Smiles: | CN(C)S(c1ccc2c(c1)nnn2CCC(N1CCN(CC1)c1ccccc1F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6426 |
| logD: | 1.6426 |
| logSw: | -2.5231 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.658 |
| InChI Key: | LTMOHUDQVCEUMV-UHFFFAOYSA-N |