2-{4-[4-(3-methylphenyl)piperazine-1-carbonyl]anilino}-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Chemical Structure Depiction of
2-{4-[4-(3-methylphenyl)piperazine-1-carbonyl]anilino}-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
2-{4-[4-(3-methylphenyl)piperazine-1-carbonyl]anilino}-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Compound characteristics
| Compound ID: | F127-0492 |
| Compound Name: | 2-{4-[4-(3-methylphenyl)piperazine-1-carbonyl]anilino}-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
| Molecular Weight: | 496.59 |
| Molecular Formula: | C27 H24 N6 O2 S |
| Smiles: | Cc1cccc(c1)N1CCN(CC1)C(c1ccc(cc1)NC1=NN2C(=Nc3ccccc3C2=O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8645 |
| logD: | 3.5009 |
| logSw: | -3.9364 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.775 |
| InChI Key: | YTTXVMYQQFRCJX-UHFFFAOYSA-N |