N-(4-fluorophenyl)-N-[(4-methyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-N-[(4-methyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
N-(4-fluorophenyl)-N-[(4-methyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
Compound characteristics
| Compound ID: | D580-0550 |
| Compound Name: | N-(4-fluorophenyl)-N-[(4-methyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide |
| Molecular Weight: | 474.53 |
| Molecular Formula: | C20 H19 F N6 O3 S2 |
| Smiles: | Cn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC1NC(c2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2724 |
| logD: | 1.2707 |
| logSw: | -2.5829 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.55 |
| InChI Key: | JHHAYFHXSVGLHR-UHFFFAOYSA-N |