(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-phenylbutanoate
Chemical Structure Depiction of
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-phenylbutanoate
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-phenylbutanoate
Compound characteristics
| Compound ID: | G265-0678 |
| Compound Name: | (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-phenylbutanoate |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C21 H22 N2 O3 S |
| Smiles: | CCC(C(=O)OCC1=CC(N2C3CCCCC=3SC2=N1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7189 |
| logD: | 3.7189 |
| logSw: | -4.0177 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.232 |
| InChI Key: | SKSMJSIJUQEPHQ-MRXNPFEDSA-N |