N-[2-(benzylsulfanyl)ethyl]-3-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)propanamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-3-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)propanamide
N-[2-(benzylsulfanyl)ethyl]-3-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)propanamide
Compound characteristics
| Compound ID: | C172-0728 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-3-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)propanamide |
| Molecular Weight: | 389.49 |
| Molecular Formula: | C18 H19 N3 O3 S2 |
| Smiles: | C(CN1C(c2c(ccs2)NC1=O)=O)C(NCCSCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2169 |
| logD: | 2.2163 |
| logSw: | -2.6672 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.79 |
| InChI Key: | AALKDFZFEOGFLK-UHFFFAOYSA-N |