7-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-2-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}-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-2436 |
| Compound Name: | 7-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 485.67 |
| Molecular Formula: | C25 H31 N3 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(N1CCC(CC1)CN1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0563 |
| logD: | 2.5811 |
| logSw: | -4.1599 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.496 |
| InChI Key: | AHENBDVMRAKWPC-GOSISDBHSA-N |