3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-4-(piperazin-1-yl)-N,N-di(prop-2-en-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-4-(piperazin-1-yl)-N,N-di(prop-2-en-1-yl)benzamide--trifluoroacetic acid (1/1)
3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-4-(piperazin-1-yl)-N,N-di(prop-2-en-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0396 |
| Compound Name: | 3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-4-(piperazin-1-yl)-N,N-di(prop-2-en-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 610.7 |
| Molecular Formula: | C27 H36 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)Cc1ccc(cc1)S(Nc1cc(ccc1N1CCNCC1)C(N(CC=C)CC=C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2299 |
| logD: | 4.2299 |
| logSw: | -4.164 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.742 |
| InChI Key: | FEPYBKCMTCSNSP-UHFFFAOYSA-N |