3-methyl-7-(4-methylpiperazine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
3-methyl-7-(4-methylpiperazine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
3-methyl-7-(4-methylpiperazine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1760 |
| Compound Name: | 3-methyl-7-(4-methylpiperazine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 355.48 |
| Molecular Formula: | C15 H21 N3 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(N1CCN(C)CC1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4341 |
| logD: | 1.371 |
| logSw: | -2.6041 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.635 |
| InChI Key: | DFBAHWHCKKFMBW-LLVKDONJSA-N |