N-(5-chloro-2-phenoxyphenyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-phenoxyphenyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
N-(5-chloro-2-phenoxyphenyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | D358-0540 |
| Compound Name: | N-(5-chloro-2-phenoxyphenyl)-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide |
| Molecular Weight: | 451.93 |
| Molecular Formula: | C23 H18 Cl N3 O3 S |
| Smiles: | C1CCC2=C(C1)N1C(=NC=C(C(Nc3cc(ccc3Oc3ccccc3)[Cl])=O)C1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 4.3491 |
| logD: | 3.0349 |
| logSw: | -4.7718 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.851 |
| InChI Key: | WEIRJPZMJRQFIV-UHFFFAOYSA-N |