N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(thiophen-2-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(thiophen-2-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(thiophen-2-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine
Compound characteristics
| Compound ID: | G702-1214 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(thiophen-2-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-amine |
| Molecular Weight: | 405.48 |
| Molecular Formula: | C21 H19 N5 O2 S |
| Smiles: | C1CCC2C(C1)=C(NCc1ccc3c(c1)OCO3)n1c(N=2)nc(c2cccs2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1752 |
| logD: | 4.1751 |
| logSw: | -4.2569 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.349 |
| InChI Key: | YVFYHJGMVZOJKK-UHFFFAOYSA-N |