4-[(4-methylphenyl)methyl]-5-oxo-N-(propan-2-yl)-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
4-[(4-methylphenyl)methyl]-5-oxo-N-(propan-2-yl)-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
4-[(4-methylphenyl)methyl]-5-oxo-N-(propan-2-yl)-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | C200-6966 |
| Compound Name: | 4-[(4-methylphenyl)methyl]-5-oxo-N-(propan-2-yl)-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | CC(C)NC(c1ccc2C(N(Cc3ccc(C)cc3)C3=NNC(N3c2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0924 |
| logD: | -3.3864 |
| logSw: | -3.5141 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.033 |
| InChI Key: | IUUKGQMISVSPDG-UHFFFAOYSA-N |