7-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1531 |
| Compound Name: | 7-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 388.51 |
| Molecular Formula: | C19 H20 N2 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3635 |
| logD: | 3.3632 |
| logSw: | -3.7196 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.763 |
| InChI Key: | UNDOJAVEQGLDOM-CYBMUJFWSA-N |