N-(5-chloro-2-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-(5-chloro-2-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-(5-chloro-2-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: | L397-0534 |
| Compound Name: | N-(5-chloro-2-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(cc1NC(CN1C(N2C(=N1)N(Cc1cccs1)C(c1c2ccs1)=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7409 |
| logD: | 3.7408 |
| logSw: | -4.1364 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.424 |
| InChI Key: | MXKWPQYXLSSXKH-UHFFFAOYSA-N |