3-(azepane-1-carbonyl)-6-[(4-fluorophenyl)methyl][1,2]thiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-6-[(4-fluorophenyl)methyl][1,2]thiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
3-(azepane-1-carbonyl)-6-[(4-fluorophenyl)methyl][1,2]thiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Compound characteristics
| Compound ID: | P422-1082 |
| Compound Name: | 3-(azepane-1-carbonyl)-6-[(4-fluorophenyl)methyl][1,2]thiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C19 H19 F N4 O3 S |
| Smiles: | C1CCCN(CC1)C(c1c2c(C(N(Cc3ccc(cc3)F)C(N2)=O)=O)ns1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.877 |
| logD: | 2.5616 |
| logSw: | -3.1985 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.56 |
| InChI Key: | QSHJIYVJEWXOGR-UHFFFAOYSA-N |