4-[(4-fluorophenyl)methyl]-1-{3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-[(4-fluorophenyl)methyl]-1-{3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-[(4-fluorophenyl)methyl]-1-{3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0543 |
| Compound Name: | 4-[(4-fluorophenyl)methyl]-1-{3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 540.6 |
| Molecular Formula: | C30 H29 F N6 O3 |
| Smiles: | COc1cccc(c1)N1CCN(CC1)C(CCc1nnc2N(Cc3ccc(cc3)F)C(c3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2646 |
| logD: | 3.2646 |
| logSw: | -3.6989 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.903 |
| InChI Key: | YTIXCIOMWKZCGQ-UHFFFAOYSA-N |