N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | J031-1333 |
Compound Name: | N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide |
Molecular Weight: | 453.52 |
Molecular Formula: | C23 H23 N3 O5 S |
Smiles: | COc1cc2c(cc1CNC(CSC1NC(C=C(c3ccccc3)N=1)=O)=O)OCCCO2 |
Stereo: | ACHIRAL |
logP: | 1.9868 |
logD: | 1.5376 |
logSw: | -2.7018 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 82.786 |
InChI Key: | DBUBHIDITLGSPS-UHFFFAOYSA-N |