N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]thiophene-2-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]thiophene-2-carboxamide--trifluoroacetic acid (1/1)
N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]thiophene-2-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0688 |
| Compound Name: | N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]thiophene-2-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 535.6 |
| Molecular Formula: | C20 H27 N3 O3 S2 |
| Salt: | CF3COOH |
| Smiles: | C(Cc1ccccc1)CN(CCS(N1CCNCC1)(=O)=O)C(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1881 |
| logD: | 1.8434 |
| logSw: | -2.6426 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.991 |
| InChI Key: | NQKLDKXAHNGNAJ-UHFFFAOYSA-N |