N-[2-(3-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-(3-methylphenyl)ethyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
N-[2-(3-methylphenyl)ethyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Compound characteristics
Compound ID: | G595-0213 |
Compound Name: | N-[2-(3-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: | Cc1cccc(CCNC(C2=CN=C3N(C4CCCCC=4S3)C2=O)=O)c1 |
Stereo: | ACHIRAL |
logP: | 2.406 |
logD: | 2.404 |
logSw: | -2.719 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.878 |
InChI Key: | CTHMJAVDJPAYMC-UHFFFAOYSA-N |