2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[(8-methoxy-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-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Compound characteristics
| Compound ID: | J031-2328 |
| Compound Name: | 2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C17 H20 N4 O5 S |
| Smiles: | COc1cc2c(cc1CNC(CSC1NC(C=C(N)N=1)=O)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | -0.2819 |
| logD: | -0.2835 |
| logSw: | -1.7827 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 102.937 |
| InChI Key: | YNQSWYRJYJXJMB-UHFFFAOYSA-N |