N-[(3-bromophenyl)methyl]-3-[(methanesulfonyl)amino]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-3-[(methanesulfonyl)amino]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
N-[(3-bromophenyl)methyl]-3-[(methanesulfonyl)amino]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-1150 |
| Compound Name: | N-[(3-bromophenyl)methyl]-3-[(methanesulfonyl)amino]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 581.41 |
| Molecular Formula: | C19 H23 Br N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CS(Nc1cc(ccc1N1CCNCC1)C(NCc1cccc(c1)[Br])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9906 |
| logD: | 1.9906 |
| logSw: | -2.812 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.933 |
| InChI Key: | ZOQVJBJZLQTRDJ-UHFFFAOYSA-N |