2-(5-chloro-2-methoxyanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Chemical Structure Depiction of
2-(5-chloro-2-methoxyanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
2-(5-chloro-2-methoxyanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Compound characteristics
| Compound ID: | K237-0003 |
| Compound Name: | 2-(5-chloro-2-methoxyanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
| Molecular Weight: | 358.8 |
| Molecular Formula: | C16 H11 Cl N4 O2 S |
| Smiles: | COc1ccc(cc1NC1=NN2C(=Nc3ccccc3C2=O)S1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.4159 |
| logD: | 2.143 |
| logSw: | -3.8918 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.799 |
| InChI Key: | VBFQYNQYUKETIN-UHFFFAOYSA-N |