5-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-3-methyl-7-(pyrrolidine-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]-3-methyl-7-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
5-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-3-methyl-7-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G640-0575 |
| Compound Name: | 5-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-3-methyl-7-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 499.65 |
| Molecular Formula: | C25 H29 N3 O4 S2 |
| Smiles: | CC1CSc2ccc(cc2N(CC(N2CCCc3ccccc23)=O)C1=O)S(N1CCCC1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6305 |
| logD: | 3.6305 |
| logSw: | -3.948 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 62.806 |
| InChI Key: | KHVWMERKYWYKDG-GOSISDBHSA-N |