5-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-2-methyl-7-(piperidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
5-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-2-methyl-7-(piperidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
5-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-2-methyl-7-(piperidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G640-1025 |
| Compound Name: | 5-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-2-methyl-7-(piperidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 513.68 |
| Molecular Formula: | C26 H31 N3 O4 S2 |
| Smiles: | CC1CC(N(CC(N2CCCc3ccccc23)=O)c2cc(ccc2S1)S(N1CCCCC1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9415 |
| logD: | 3.9415 |
| logSw: | -3.9355 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 62.718 |
| InChI Key: | MXLMQNOQQDRBDP-LJQANCHMSA-N |