methyl 2-[5-(methoxycarbonyl)-2-methylanilino]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 2-[5-(methoxycarbonyl)-2-methylanilino]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
methyl 2-[5-(methoxycarbonyl)-2-methylanilino]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | F127-0083 |
| Compound Name: | methyl 2-[5-(methoxycarbonyl)-2-methylanilino]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate |
| Molecular Weight: | 424.43 |
| Molecular Formula: | C20 H16 N4 O5 S |
| Smiles: | Cc1ccc(cc1NC1=NN2C(=Nc3cc(ccc3C2=O)C(=O)OC)S1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5072 |
| logD: | 3.4838 |
| logSw: | -3.8156 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.517 |
| InChI Key: | VLSQZCRQOMGUAO-UHFFFAOYSA-N |