2-(3-chloro-2-methylanilino)-8-(pyrrolidine-1-carbonyl)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Chemical Structure Depiction of
2-(3-chloro-2-methylanilino)-8-(pyrrolidine-1-carbonyl)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
2-(3-chloro-2-methylanilino)-8-(pyrrolidine-1-carbonyl)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Compound characteristics
| Compound ID: | E796-0484 |
| Compound Name: | 2-(3-chloro-2-methylanilino)-8-(pyrrolidine-1-carbonyl)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C21 H18 Cl N5 O2 S |
| Smiles: | Cc1c(cccc1[Cl])NC1=NN2C(=Nc3cc(ccc3C2=O)C(N2CCCC2)=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.8321 |
| logD: | 3.5097 |
| logSw: | -4.2037 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.183 |
| InChI Key: | IOPNBUKKLHKDRK-UHFFFAOYSA-N |