4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0017 |
| Compound Name: | 4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 592.68 |
| Molecular Formula: | C24 H38 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)Cc1ccc(cc1)S(N(CCCN1CCCC1=O)CCC(N1CCNCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2107 |
| logD: | 0.3827 |
| logSw: | -2.4102 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.164 |
| InChI Key: | ZNEOIKNMHDWYTI-UHFFFAOYSA-N |