N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[(4-methyl-6-oxo-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-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J031-1513 |
| Compound Name: | N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 391.44 |
| Molecular Formula: | C18 H21 N3 O5 S |
| Smiles: | CC1=CC(NC(=N1)SCC(NCc1cc2c(cc1OC)OCCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6393 |
| logD: | -0.0827 |
| logSw: | -2.1123 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.556 |
| InChI Key: | UGGUDEHMEHNECO-UHFFFAOYSA-N |