N-tert-butyl-2-(4-{3-[(methanesulfonyl)amino]-4-(piperazin-1-yl)benzoyl}piperazin-1-yl)acetamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-tert-butyl-2-(4-{3-[(methanesulfonyl)amino]-4-(piperazin-1-yl)benzoyl}piperazin-1-yl)acetamide--trifluoroacetic acid (1/1)
N-tert-butyl-2-(4-{3-[(methanesulfonyl)amino]-4-(piperazin-1-yl)benzoyl}piperazin-1-yl)acetamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0171 |
| Compound Name: | N-tert-butyl-2-(4-{3-[(methanesulfonyl)amino]-4-(piperazin-1-yl)benzoyl}piperazin-1-yl)acetamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 594.65 |
| Molecular Formula: | C22 H36 N6 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)(C)NC(CN1CCN(CC1)C(c1ccc(c(c1)NS(C)(=O)=O)N1CCNCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3574 |
| logD: | 0.3574 |
| logSw: | -2.444 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.276 |
| InChI Key: | IKJUQQYSBGQGOM-UHFFFAOYSA-N |