N-cycloheptyl-2,5-dimethyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-cycloheptyl-2,5-dimethyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-cycloheptyl-2,5-dimethyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0090 |
| Compound Name: | N-cycloheptyl-2,5-dimethyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 571.68 |
| Molecular Formula: | C21 H35 N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(C)c(c1)S(N(CCS(N1CCNCC1)(=O)=O)C1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1013 |
| logD: | 2.7566 |
| logSw: | -3.1628 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.772 |
| InChI Key: | HWCDKACJNPNTKN-UHFFFAOYSA-N |