N,N-dimethyl-1-{3-oxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]propyl}-1H-benzotriazole-5-sulfonamide
Chemical Structure Depiction of
N,N-dimethyl-1-{3-oxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]propyl}-1H-benzotriazole-5-sulfonamide
N,N-dimethyl-1-{3-oxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]propyl}-1H-benzotriazole-5-sulfonamide
Compound characteristics
| Compound ID: | F514-0517 |
| Compound Name: | N,N-dimethyl-1-{3-oxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]propyl}-1H-benzotriazole-5-sulfonamide |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C19 H24 N8 O3 S |
| Smiles: | CN(C)S(c1ccc2c(c1)nnn2CCC(N1CCN(CC1)c1ncccn1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6287 |
| logD: | 0.6287 |
| logSw: | -2.2725 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 97.322 |
| InChI Key: | VPKIFVQXHJJEIN-UHFFFAOYSA-N |