N-[(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-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
N-[(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: | J031-1329 |
| Compound Name: | N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C22 H21 N3 O4 S |
| Smiles: | C1COc2ccc(CNC(CSC3NC(C=C(c4ccccc4)N=3)=O)=O)cc2OC1 |
| Stereo: | ACHIRAL |
| logP: | 1.9542 |
| logD: | 1.505 |
| logSw: | -2.6745 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.155 |
| InChI Key: | ZNZAPFHWSUGWRY-UHFFFAOYSA-N |