N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K292-1592 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C22 H23 N3 O4 S2 |
| Smiles: | C1CC(CCC1CN1C(c2c(ccs2)NC1=S)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8091 |
| logD: | 3.8085 |
| logSw: | -4.0538 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.057 |
| InChI Key: | HBXYWVSWVXAADR-UHFFFAOYSA-N |