1-{[2-(tert-butylamino)-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-(tert-butylamino)-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-(tert-butylamino)-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: | F472-0449 |
| Compound Name: | 1-{[2-(tert-butylamino)-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: | 486.64 |
| Molecular Formula: | C24 H34 N6 O3 S |
| Smiles: | CC(C)CNC(c1ccc2C(N(CC(C)C)c3nnc(n3c2c1)SCC(NC(C)(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3393 |
| logD: | 3.3392 |
| logSw: | -3.7317 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.835 |
| InChI Key: | IHECZRCEGALSHV-UHFFFAOYSA-N |