4-chloro-N-[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-chloro-N-[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-chloro-N-[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0109 |
| Compound Name: | 4-chloro-N-[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 606.06 |
| Molecular Formula: | C23 H30 Cl N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | CN1CCCN(CC1)C(c1ccc(c(c1)NS(c1ccc(cc1)[Cl])(=O)=O)N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8795 |
| logD: | 1.8795 |
| logSw: | -3.1643 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.758 |
| InChI Key: | XHHYYKMCSULJEW-UHFFFAOYSA-N |