N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | F815-0375 |
| Compound Name: | N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide |
| Molecular Weight: | 457.94 |
| Molecular Formula: | C21 H20 Cl N5 O3 S |
| Smiles: | Cc1cc(c(cc1[Cl])OC)NC(CN1C(N2C=Nc3c(C2=N1)c1CCCCc1s3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1696 |
| logD: | 4.1691 |
| logSw: | -4.6762 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.592 |
| InChI Key: | SCQLBTOUCXPRDB-UHFFFAOYSA-N |