N-(3-methylbutyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-(3-methylbutyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
N-(3-methylbutyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | G595-0131 |
| Compound Name: | N-(3-methylbutyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide |
| Molecular Weight: | 319.42 |
| Molecular Formula: | C16 H21 N3 O2 S |
| Smiles: | CC(C)CCNC(C1=CN=C2N(C3CCCCC=3S2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9083 |
| logD: | 1.9052 |
| logSw: | -2.2814 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.15 |
| InChI Key: | ZQVIHGUSUJKUGH-UHFFFAOYSA-N |