N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)pentanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)pentanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)pentanamide
Compound characteristics
| Compound ID: | K292-1470 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)pentanamide |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C19 H19 N3 O4 S2 |
| Smiles: | C(CCN1C(c2c(ccs2)NC1=S)=O)CC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4576 |
| logD: | 2.457 |
| logSw: | -2.9756 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.902 |
| InChI Key: | DRJKQVBCCZPBQB-UHFFFAOYSA-N |