7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-2698 |
| Compound Name: | 7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C21 H23 N3 O5 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1576 |
| logD: | 2.0622 |
| logSw: | -2.9891 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.757 |
| InChI Key: | XSIKXOCICDDJJQ-UHFFFAOYSA-N |