N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | G595-0107 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide |
| Molecular Weight: | 383.42 |
| Molecular Formula: | C19 H17 N3 O4 S |
| Smiles: | C1CCC2=C(C1)N1C(=NC=C(C(NCc3ccc4c(c3)OCO4)=O)C1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 1.7949 |
| logD: | 1.7934 |
| logSw: | -2.4791 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.152 |
| InChI Key: | NKDQBTCNGSMJLG-UHFFFAOYSA-N |