N-[(3-fluorophenyl)methyl]-3-[(3-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-fluorophenyl)methyl]-3-[(3-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
N-[(3-fluorophenyl)methyl]-3-[(3-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-1196 |
| Compound Name: | N-[(3-fluorophenyl)methyl]-3-[(3-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 596.6 |
| Molecular Formula: | C25 H27 F N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)S(Nc1cc(ccc1N1CCNCC1)C(NCc1cccc(c1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4144 |
| logD: | 3.4144 |
| logSw: | -3.8777 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.716 |
| InChI Key: | RYDHEXRPYKGILS-UHFFFAOYSA-N |