N-[2-(2-methylphenyl)ethyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-[2-(2-methylphenyl)ethyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
N-[2-(2-methylphenyl)ethyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | G595-0286 |
| Compound Name: | N-[2-(2-methylphenyl)ethyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C20 H21 N3 O2 S |
| Smiles: | Cc1ccccc1CCNC(C1=CN=C2N(C3CCCCC=3S2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.768 |
| logD: | 2.766 |
| logSw: | -3.0411 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.878 |
| InChI Key: | ZWKZTVFTUBZIML-UHFFFAOYSA-N |