N-benzyl-N-butyl-3-[(methanesulfonyl)amino]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-benzyl-N-butyl-3-[(methanesulfonyl)amino]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
N-benzyl-N-butyl-3-[(methanesulfonyl)amino]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-1048 |
| Compound Name: | N-benzyl-N-butyl-3-[(methanesulfonyl)amino]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 558.62 |
| Molecular Formula: | C23 H32 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(Cc1ccccc1)C(c1ccc(c(c1)NS(C)(=O)=O)N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4932 |
| logD: | 2.4932 |
| logSw: | -3.1781 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.709 |
| InChI Key: | DCTYKKCUHCTKPK-UHFFFAOYSA-N |