(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-chlorobenzoate
Chemical Structure Depiction of
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-chlorobenzoate
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-chlorobenzoate
Compound characteristics
| Compound ID: | G265-0624 |
| Compound Name: | (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-chlorobenzoate |
| Molecular Weight: | 374.84 |
| Molecular Formula: | C18 H15 Cl N2 O3 S |
| Smiles: | C1CCC2=C(C1)N1C(=NC(COC(c3ccc(cc3)[Cl])=O)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 3.6804 |
| logD: | 3.6804 |
| logSw: | -4.3012 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.232 |
| InChI Key: | HQGAICYJMNMRML-UHFFFAOYSA-N |