N-(3-chloro-4-methylphenyl)-2-{1,5-dioxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{1,5-dioxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide
N-(3-chloro-4-methylphenyl)-2-{1,5-dioxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | L397-0552 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{1,5-dioxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide |
| Molecular Weight: | 485.97 |
| Molecular Formula: | C21 H16 Cl N5 O3 S2 |
| Smiles: | Cc1ccc(cc1[Cl])NC(CN1C(N2C(=N1)N(Cc1cccs1)C(c1c2ccs1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6739 |
| logD: | 4.6739 |
| logSw: | -4.7841 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.121 |
| InChI Key: | JMHLUWCRYDNDAY-UHFFFAOYSA-N |