3-propyl-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-propyl-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-propyl-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0381 |
| Compound Name: | 3-propyl-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C21 H23 N5 O2 S |
| Smiles: | CCCN1C(c2ccc(cc2NC1=S)C(N1CCN(CC1)c1ccccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8972 |
| logD: | 2.8879 |
| logSw: | -3.4564 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.988 |
| InChI Key: | XAEPRWWRWQOQDQ-UHFFFAOYSA-N |