N-(8-chloro-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)-3-methylbenzamide
Chemical Structure Depiction of
N-(8-chloro-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)-3-methylbenzamide
N-(8-chloro-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)-3-methylbenzamide
Compound characteristics
| Compound ID: | 8629-0172 |
| Compound Name: | N-(8-chloro-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)-3-methylbenzamide |
| Molecular Weight: | 369.83 |
| Molecular Formula: | C18 H12 Cl N3 O2 S |
| Smiles: | Cc1cccc(c1)C(NC1=CN=C2N(C1=O)c1ccc(cc1S2)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1743 |
| logD: | 3.1044 |
| logSw: | -3.6805 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.076 |
| InChI Key: | HCFKQZAQOVMEKN-UHFFFAOYSA-N |