N-(N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}carbamimidoyl)-2-methyl-5-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-(N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}carbamimidoyl)-2-methyl-5-nitrobenzene-1-sulfonamide
N-(N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}carbamimidoyl)-2-methyl-5-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | C607-0995 |
| Compound Name: | N-(N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}carbamimidoyl)-2-methyl-5-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 478.54 |
| Molecular Formula: | C21 H27 F N6 O4 S |
| Smiles: | Cc1ccc(cc1S(NC(=N)NCCCN1CCN(CC1)c1ccc(cc1)F)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3078 |
| logD: | 2.3078 |
| logSw: | -2.8532 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.37 |
| InChI Key: | MCJJCILHIDCSKZ-UHFFFAOYSA-N |