(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl adamantane-1-carboxylate
Chemical Structure Depiction of
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl adamantane-1-carboxylate
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | G265-0637 |
| Compound Name: | (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl adamantane-1-carboxylate |
| Molecular Weight: | 398.52 |
| Molecular Formula: | C22 H26 N2 O3 S |
| Smiles: | [H][C@@]12CC3(C[C@@]([H])(C1)C[C@]([H])(C3)C2)C(=O)OCC1=CC(N2C3CCCCC=3SC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2689 |
| logD: | 4.2689 |
| logSw: | -4.305 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.266 |
| InChI Key: | BUMYUHUOBHXFRK-UHFFFAOYSA-N |