7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-3-methyl-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}-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-3296 |
| Compound Name: | 7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 475.58 |
| Molecular Formula: | C22 H25 N3 O5 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8035 |
| logD: | 2.7079 |
| logSw: | -3.4501 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.814 |
| InChI Key: | GUGBZBUWWUZXGF-OAHLLOKOSA-N |