N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-(piperazin-1-yl)-3-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-(piperazin-1-yl)-3-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-(piperazin-1-yl)-3-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0624 |
| Compound Name: | N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-(piperazin-1-yl)-3-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 601.64 |
| Molecular Formula: | C24 H33 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)c(c(C)c1)S(Nc1cc(ccc1N1CCNCC1)C(N(C)CC(NC)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5608 |
| logD: | 1.5608 |
| logSw: | -2.5434 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.346 |
| InChI Key: | BDSDKPKTIKBLEB-UHFFFAOYSA-N |