butyl 4-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
butyl 4-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carbonyl)amino]benzoate
butyl 4-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D358-0547 |
| Compound Name: | butyl 4-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carbonyl)amino]benzoate |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | CCCCOC(c1ccc(cc1)NC(C1=CN=C2N(C3CCCCC=3S2)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8987 |
| logD: | 2.6639 |
| logSw: | -3.9716 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.762 |
| InChI Key: | SWCJFUBDSAFSRI-UHFFFAOYSA-N |