5-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-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]-7-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
5-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-7-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G640-0131 |
| Compound Name: | 5-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-7-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 485.62 |
| Molecular Formula: | C24 H27 N3 O4 S2 |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)N(CC(N1CCCc3ccccc13)=O)C(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3792 |
| logD: | 3.3792 |
| logSw: | -3.8339 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.084 |
| InChI Key: | OQOJDRLSABZHDW-UHFFFAOYSA-N |