2-{[8-oxo-7-(prop-2-en-1-yl)-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[8-oxo-7-(prop-2-en-1-yl)-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
2-{[8-oxo-7-(prop-2-en-1-yl)-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
Compound characteristics
| Compound ID: | M191-0039 |
| Compound Name: | 2-{[8-oxo-7-(prop-2-en-1-yl)-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide |
| Molecular Weight: | 386.39 |
| Molecular Formula: | C16 H14 N6 O4 S |
| Smiles: | C=CCN1C(=Nc2cc3c(cc2C1=O)OCO3)SCC(Nc1nnc[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.73 |
| logD: | 0.7156 |
| logSw: | -2.3172 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.123 |
| InChI Key: | CMPMWKZTHSCLQS-UHFFFAOYSA-N |