2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Chemical Structure Depiction of
2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Compound characteristics
Compound ID: | J031-2325 |
Compound Name: | 2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide |
Molecular Weight: | 362.41 |
Molecular Formula: | C16 H18 N4 O4 S |
Smiles: | C1COc2ccc(CNC(CSC3NC(C=C(N)N=3)=O)=O)cc2OC1 |
Stereo: | ACHIRAL |
logP: | -0.3145 |
logD: | -0.3161 |
logSw: | -2.1082 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 95.307 |
InChI Key: | IRHKAUGCWQZDRQ-UHFFFAOYSA-N |