N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | C679-5974 |
| Compound Name: | N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 475.52 |
| Molecular Formula: | C25 H21 N3 O5 S |
| Smiles: | C1CCC2=C(C1)N1C(=NC(COc3cccc(c3)NC(c3ccc4c(c3)OCO4)=O)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 3.6632 |
| logD: | 3.6632 |
| logSw: | -4.0978 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.809 |
| InChI Key: | UHKBQZSGQDCTTM-UHFFFAOYSA-N |