N-[4-(4-{[4-(benzyloxy)-3-methoxyphenyl]methyl}piperazine-1-sulfonyl)phenyl]acetamide--oxalic acid (1/1)
Chemical Structure Depiction of
N-[4-(4-{[4-(benzyloxy)-3-methoxyphenyl]methyl}piperazine-1-sulfonyl)phenyl]acetamide--oxalic acid (1/1)
N-[4-(4-{[4-(benzyloxy)-3-methoxyphenyl]methyl}piperazine-1-sulfonyl)phenyl]acetamide--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0368 |
| Compound Name: | N-[4-(4-{[4-(benzyloxy)-3-methoxyphenyl]methyl}piperazine-1-sulfonyl)phenyl]acetamide--oxalic acid (1/1) |
| Molecular Weight: | 599.66 |
| Molecular Formula: | C27 H31 N3 O5 S |
| Salt: | HOOCCOOH |
| Smiles: | CC(Nc1ccc(cc1)S(N1CCN(CC1)Cc1ccc(c(c1)OC)OCc1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0049 |
| logD: | 2.9094 |
| logSw: | -3.529 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.696 |
| InChI Key: | AUCFQPRWQFHLCV-UHFFFAOYSA-N |