4-benzyl-6,6-dimethyl-1-sulfanyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-benzyl-6,6-dimethyl-1-sulfanyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-benzyl-6,6-dimethyl-1-sulfanyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | 5585-0390 |
| Compound Name: | 4-benzyl-6,6-dimethyl-1-sulfanyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 388.49 |
| Molecular Formula: | C22 H20 N4 O S |
| Smiles: | CC1(C)Cc2ccccc2C2=C1C(N(Cc1ccccc1)c1nnc(n12)S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4899 |
| logD: | 2.4582 |
| logSw: | -4.5471 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.212 |
| InChI Key: | ICMFBUKRYFPYQV-UHFFFAOYSA-N |