7-(4-benzylpiperidine-1-sulfonyl)-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-(4-benzylpiperidine-1-sulfonyl)-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-(4-benzylpiperidine-1-sulfonyl)-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1772 |
| Compound Name: | 7-(4-benzylpiperidine-1-sulfonyl)-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 430.59 |
| Molecular Formula: | C22 H26 N2 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(N1CCC(CC1)Cc1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6443 |
| logD: | 4.6438 |
| logSw: | -4.3565 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.887 |
| InChI Key: | HPXHVPPYCJHKKV-MRXNPFEDSA-N |