N-[(2-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
N-[(2-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0022 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 573.63 |
| Molecular Formula: | C18 H25 N3 O5 S3 |
| Salt: | CF3COOH |
| Smiles: | COc1ccccc1CN(CCS(N1CCNCC1)(=O)=O)S(c1cccs1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2657 |
| logD: | 0.9211 |
| logSw: | -2.1633 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.807 |
| InChI Key: | MYGHHRAYEWFCBA-UHFFFAOYSA-N |