1-{[2-(4-methylphenyl)-2-oxoethyl]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-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-N,4-bis(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-{[2-(4-methylphenyl)-2-oxoethyl]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: | F472-0402 |
| Compound Name: | 1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-N,4-bis(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 505.64 |
| Molecular Formula: | C27 H31 N5 O3 S |
| Smiles: | CC(C)CNC(c1ccc2C(N(CC(C)C)c3nnc(n3c2c1)SCC(c1ccc(C)cc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4795 |
| logD: | 4.4795 |
| logSw: | -4.2488 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.515 |
| InChI Key: | ULLFMVQAEZWCDG-UHFFFAOYSA-N |