3-[(4-chlorobenzene-1-sulfonyl)amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(4-chlorobenzene-1-sulfonyl)amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
3-[(4-chlorobenzene-1-sulfonyl)amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0126 |
| Compound Name: | 3-[(4-chlorobenzene-1-sulfonyl)amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 594.01 |
| Molecular Formula: | C21 H26 Cl N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | CNC(CN(C)C(c1ccc(c(c1)NS(c1ccc(cc1)[Cl])(=O)=O)N1CCNCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7232 |
| logD: | 0.7232 |
| logSw: | -2.8882 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.346 |
| InChI Key: | OPMULDLATSJVOK-UHFFFAOYSA-N |