1-[2-(diethylamino)ethyl][1]benzopyrano[3,4-d][1,2,3]triazol-4(1H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-[2-(diethylamino)ethyl][1]benzopyrano[3,4-d][1,2,3]triazol-4(1H)-one--hydrogen chloride (1/1)
1-[2-(diethylamino)ethyl][1]benzopyrano[3,4-d][1,2,3]triazol-4(1H)-one--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | 3027-0106 |
Compound Name: | 1-[2-(diethylamino)ethyl][1]benzopyrano[3,4-d][1,2,3]triazol-4(1H)-one--hydrogen chloride (1/1) |
Molecular Weight: | 322.79 |
Molecular Formula: | C15 H18 N4 O2 |
Salt: | HCl |
Smiles: | CCN(CC)CCn1c2c3ccccc3OC(c2nn1)=O |
Stereo: | ACHIRAL |
logP: | 1.5968 |
logD: | 0.9808 |
logSw: | -2.318 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 50.988 |
InChI Key: | IYKURIOGTBMJSX-UHFFFAOYSA-N |