methyl 4-methyl-3-[(10-oxo-7H,10H-[1,3]dioxolo[4,5-g][1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzoate
Chemical Structure Depiction of
methyl 4-methyl-3-[(10-oxo-7H,10H-[1,3]dioxolo[4,5-g][1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzoate
methyl 4-methyl-3-[(10-oxo-7H,10H-[1,3]dioxolo[4,5-g][1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzoate
Compound characteristics
| Compound ID: | F127-0377 |
| Compound Name: | methyl 4-methyl-3-[(10-oxo-7H,10H-[1,3]dioxolo[4,5-g][1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzoate |
| Molecular Weight: | 410.41 |
| Molecular Formula: | C19 H14 N4 O5 S |
| Smiles: | Cc1ccc(cc1NC1=NN2C(=Nc3cc4c(cc3C2=O)OCO4)S1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7832 |
| logD: | 3.7599 |
| logSw: | -4.0076 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.458 |
| InChI Key: | XKNPHVUBMIZOIQ-UHFFFAOYSA-N |