N-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
N-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0485 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 533.54 |
| Molecular Formula: | C21 H26 F N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)C(N(CCS(N1CCNCC1)(=O)=O)Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4732 |
| logD: | 1.1285 |
| logSw: | -2.5108 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.994 |
| InChI Key: | GYCRFSRPCZCSOW-UHFFFAOYSA-N |