7-(4-benzylpiperazine-1-sulfonyl)-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-(4-benzylpiperazine-1-sulfonyl)-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-(4-benzylpiperazine-1-sulfonyl)-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1767 |
| Compound Name: | 7-(4-benzylpiperazine-1-sulfonyl)-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 431.57 |
| Molecular Formula: | C21 H25 N3 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(N1CCN(CC1)Cc1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9323 |
| logD: | 2.925 |
| logSw: | -3.4925 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.699 |
| InChI Key: | GCIJMMYLPLCTAA-MRXNPFEDSA-N |