methyl 10-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0231 |
| Compound Name: | methyl 10-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C26 H22 N2 O4 S |
| Smiles: | COC(c1ccc2c(c1)N(CC(N1CCCc3ccccc13)=O)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7758 |
| logD: | 4.7758 |
| logSw: | -4.439 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.631 |
| InChI Key: | YIXVTTSRTNOJPN-UHFFFAOYSA-N |