N-[(3-chlorophenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide
N-[(3-chlorophenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide
Compound characteristics
| Compound ID: | K292-1416 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)butanamide |
| Molecular Weight: | 393.91 |
| Molecular Formula: | C17 H16 Cl N3 O2 S2 |
| Smiles: | C(CC(NCc1cccc(c1)[Cl])=O)CN1C(c2c(ccs2)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7277 |
| logD: | 2.7271 |
| logSw: | -3.5604 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.786 |
| InChI Key: | OCNGUNJKROSDFJ-UHFFFAOYSA-N |