N-(4-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(4-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(4-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1658 |
| Compound Name: | N-(4-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C25 H29 N3 O3 S |
| Smiles: | CC1=C(C(Nc2ccc(cc2)C(NCCCN2CCc3ccccc3C2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.4764 |
| logD: | 2.4764 |
| logSw: | -2.8608 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.5 |
| InChI Key: | MKJDDZOXURITEZ-UHFFFAOYSA-N |