N-[(4-ethyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
Chemical Structure Depiction of
N-[(4-ethyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
N-[(4-ethyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D580-0635 |
| Compound Name: | N-[(4-ethyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C21 H21 F N6 O3 S2 |
| Smiles: | CCn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC1NC(c2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.887 |
| logD: | 1.8852 |
| logSw: | -2.9045 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.465 |
| InChI Key: | VBKXEVYYSMJPDI-UHFFFAOYSA-N |