7-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-3426 |
| Compound Name: | 7-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 485.67 |
| Molecular Formula: | C25 H31 N3 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(N1CCC(CC1)CN1CCc2ccccc2C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2615 |
| logD: | 2.7863 |
| logSw: | -4.1696 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.553 |
| InChI Key: | XYEFONSKVIIMJQ-GOSISDBHSA-N |