N-(butan-2-yl)-1-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-1-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(butan-2-yl)-1-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0821 |
| Compound Name: | N-(butan-2-yl)-1-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 482.54 |
| Molecular Formula: | C23 H23 F N6 O3 S |
| Smiles: | CCC(C)NC(c1ccc2C(N(C)c3nnc(n3c2c1)SCC(Nc1cccc(c1)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2209 |
| logD: | 2.2208 |
| logSw: | -3.0987 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.625 |
| InChI Key: | PMBNMBVCRKRBCP-ZDUSSCGKSA-N |