1-[3-(4-methylpiperazin-1-yl)propyl][1]benzopyrano[3,4-d][1,2,3]triazol-4(1H)-one--hydrogen chloride (1/2)
Chemical Structure Depiction of
1-[3-(4-methylpiperazin-1-yl)propyl][1]benzopyrano[3,4-d][1,2,3]triazol-4(1H)-one--hydrogen chloride (1/2)
1-[3-(4-methylpiperazin-1-yl)propyl][1]benzopyrano[3,4-d][1,2,3]triazol-4(1H)-one--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | 0266-0191 |
| Compound Name: | 1-[3-(4-methylpiperazin-1-yl)propyl][1]benzopyrano[3,4-d][1,2,3]triazol-4(1H)-one--hydrogen chloride (1/2) |
| Molecular Weight: | 400.31 |
| Molecular Formula: | C17 H21 N5 O2 |
| Salt: | 2HCl |
| Smiles: | CN1CCN(CCCn2c3c4ccccc4OC(c3nn2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.6124 |
| logD: | -0.2022 |
| logSw: | -1.9234 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.765 |
| InChI Key: | PMBFWWLEHHOEPE-UHFFFAOYSA-N |