N,N-bis(2-methylpropyl)-4-(piperazin-1-yl)-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N,N-bis(2-methylpropyl)-4-(piperazin-1-yl)-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1)
N,N-bis(2-methylpropyl)-4-(piperazin-1-yl)-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0363 |
| Compound Name: | N,N-bis(2-methylpropyl)-4-(piperazin-1-yl)-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 628.75 |
| Molecular Formula: | C28 H42 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CN(CC(C)C)C(c1ccc(c(c1)NS(c1ccc(cc1)C(C)C)(=O)=O)N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2656 |
| logD: | 5.2656 |
| logSw: | -5.1193 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.785 |
| InChI Key: | GJXVFKYKQVQFPU-UHFFFAOYSA-N |