3-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-3175 |
| Compound Name: | 3-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C21 H23 N5 O2 S |
| Smiles: | C(CC(N1CCN(CC1)c1ccccn1)=O)CN1C(c2ccccc2NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.357 |
| logD: | 2.347 |
| logSw: | -3.0274 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.46 |
| InChI Key: | LHVZXDKNUAHFKP-UHFFFAOYSA-N |