2-{[6,6-dimethyl-7-oxo-11-(prop-2-en-1-yl)-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[6,6-dimethyl-7-oxo-11-(prop-2-en-1-yl)-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}-N-(3-methylphenyl)acetamide
2-{[6,6-dimethyl-7-oxo-11-(prop-2-en-1-yl)-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D461-0626 |
| Compound Name: | 2-{[6,6-dimethyl-7-oxo-11-(prop-2-en-1-yl)-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 485.61 |
| Molecular Formula: | C27 H27 N5 O2 S |
| Smiles: | Cc1cccc(c1)NC(CSC1=NN(CC=C)C2=NC3=C(C(N12)=O)C(C)(C)Cc1ccccc13)=O |
| Stereo: | ACHIRAL |
| logP: | 5.073 |
| logD: | 5.0719 |
| logSw: | -4.7468 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.696 |
| InChI Key: | HFXZMCXYZREEBB-UHFFFAOYSA-N |