N-(5-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(5-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(5-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-1604 |
| Compound Name: | N-(5-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]carbamoyl}-2-methylphenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C25 H29 N3 O3 S |
| Smiles: | Cc1ccc(cc1NC(C1=CSCCO1)=O)C(NCCCN1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8968 |
| logD: | 1.747 |
| logSw: | -3.2655 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.16 |
| InChI Key: | JWZWZAVPSRQLPV-UHFFFAOYSA-N |