N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | G595-1113 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | C1CCCC2=C(CC1)N1C(=NC=C(C(NCc3ccc4c(c3)OCO4)=O)C1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 2.7867 |
| logD: | 2.7853 |
| logSw: | -3.2684 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.483 |
| InChI Key: | YTXOYUZEXLCQIO-UHFFFAOYSA-N |