N-cycloheptyl-4-methoxy-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-cycloheptyl-4-methoxy-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
N-cycloheptyl-4-methoxy-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0099 |
| Compound Name: | N-cycloheptyl-4-methoxy-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 537.6 |
| Molecular Formula: | C21 H33 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1)C(N(CCS(N1CCNCC1)(=O)=O)C1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3331 |
| logD: | 1.9884 |
| logSw: | -2.645 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.113 |
| InChI Key: | UAFYIWKQKJPVTA-UHFFFAOYSA-N |