N-(butan-2-yl)-1-{[2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0779 |
| Compound Name: | N-(butan-2-yl)-1-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 479.56 |
| Molecular Formula: | C24 H25 N5 O4 S |
| Smiles: | CCC(C)NC(c1ccc2C(N(C)c3nnc(n3c2c1)SCC(c1ccc(cc1)OC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1771 |
| logD: | 2.1771 |
| logSw: | -2.9924 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.266 |
| InChI Key: | NDLIBZMWIMGLPA-AWEZNQCLSA-N |