2-(4-{3-[(methanesulfonyl)amino]-4-(piperazin-1-yl)benzoyl}piperazin-1-yl)-N-propylacetamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(4-{3-[(methanesulfonyl)amino]-4-(piperazin-1-yl)benzoyl}piperazin-1-yl)-N-propylacetamide--trifluoroacetic acid (1/1)
2-(4-{3-[(methanesulfonyl)amino]-4-(piperazin-1-yl)benzoyl}piperazin-1-yl)-N-propylacetamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0165 |
| Compound Name: | 2-(4-{3-[(methanesulfonyl)amino]-4-(piperazin-1-yl)benzoyl}piperazin-1-yl)-N-propylacetamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 580.63 |
| Molecular Formula: | C21 H34 N6 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCNC(CN1CCN(CC1)C(c1ccc(c(c1)NS(C)(=O)=O)N1CCNCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4083 |
| logD: | -0.4083 |
| logSw: | -2.34 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.293 |
| InChI Key: | HQKRWWJKLQSMHO-UHFFFAOYSA-N |