methyl 3-[(7-chloro-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(7-chloro-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzoate
methyl 3-[(7-chloro-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzoate
Compound characteristics
| Compound ID: | F127-0208 |
| Compound Name: | methyl 3-[(7-chloro-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzoate |
| Molecular Weight: | 386.81 |
| Molecular Formula: | C17 H11 Cl N4 O3 S |
| Smiles: | COC(c1cccc(c1)NC1=NN2C(=Nc3ccc(cc3C2=O)[Cl])S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0537 |
| logD: | 4.0401 |
| logSw: | -4.4416 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.041 |
| InChI Key: | YPIOWXPRCUODMR-UHFFFAOYSA-N |