3-[(2-acetamido-5-methylbenzene-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-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N,N-di(prop-2-en-1-yl)benzamide--trifluoroacetic acid (1/1)
3-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N,N-di(prop-2-en-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0521 |
| Compound Name: | 3-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N,N-di(prop-2-en-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 625.67 |
| Molecular Formula: | C26 H33 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(Nc1ccc(C)cc1S(Nc1cc(ccc1N1CCNCC1)C(N(CC=C)CC=C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.568 |
| logD: | 1.568 |
| logSw: | -2.4768 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.306 |
| InChI Key: | WTIZIRBPDXTLJG-UHFFFAOYSA-N |