7-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1739 |
| Compound Name: | 7-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 388.51 |
| Molecular Formula: | C19 H20 N2 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5688 |
| logD: | 3.5683 |
| logSw: | -3.8258 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.82 |
| InChI Key: | MNKMBCCWMPIQIM-CYBMUJFWSA-N |