N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | G072-1568 |
| Compound Name: | N-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 491.59 |
| Molecular Formula: | C25 H21 N3 O4 S2 |
| Smiles: | C1CCC2=C(C1)N1C(=NC(CSc3ccccc3NC(c3ccc4c(c3)OCO4)=O)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 3.9911 |
| logD: | 3.9911 |
| logSw: | -4.3118 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.612 |
| InChI Key: | FJCJWHMVYFYTBQ-UHFFFAOYSA-N |