1-{[(4-methylphenyl)methyl]sulfanyl}-N,4-bis(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-{[(4-methylphenyl)methyl]sulfanyl}-N,4-bis(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-{[(4-methylphenyl)methyl]sulfanyl}-N,4-bis(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
Compound ID: | F472-0417 |
Compound Name: | 1-{[(4-methylphenyl)methyl]sulfanyl}-N,4-bis(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
Molecular Weight: | 477.63 |
Molecular Formula: | C26 H31 N5 O2 S |
Smiles: | CC(C)CNC(c1ccc2C(N(CC(C)C)c3nnc(n3c2c1)SCc1ccc(C)cc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.6768 |
logD: | 4.6768 |
logSw: | -4.3046 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.268 |
InChI Key: | VJNVMGNYNPFSDX-UHFFFAOYSA-N |