2-[({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-3-(4-ethylphenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-[({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-3-(4-ethylphenyl)quinazolin-4(3H)-one
2-[({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-3-(4-ethylphenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8008-2943 |
| Compound Name: | 2-[({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-3-(4-ethylphenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 627.81 |
| Molecular Formula: | C38 H37 N5 O2 S |
| Smiles: | CCc1ccc(cc1)N1C(CSc2nnc(COc3ccc(cc3)C3CCCCC3)n2c2ccccc2)=Nc2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 7.7361 |
| logD: | 7.73 |
| logSw: | -5.6771 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.736 |
| InChI Key: | QLCCBQMFVSWHLR-UHFFFAOYSA-N |