N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)methyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)methyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide
N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)methyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8018-3952 |
| Compound Name: | N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)methyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 370.39 |
| Molecular Formula: | C16 H14 N6 O3 S |
| Smiles: | C(c1ccc2c(c1)OCC(N2)=O)NC(CSc1c2c(ncn1)[nH]cn2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0974 |
| logD: | 0.0972 |
| logSw: | -2.4034 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.276 |
| InChI Key: | XWZHMJAQLQRWLG-UHFFFAOYSA-N |