3-(4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-(4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-(4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7664 |
| Compound Name: | 3-(4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 501.56 |
| Molecular Formula: | C26 H23 N5 O4 S |
| Smiles: | C(C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)c1ccc(cc1)N1C(c2ccccc2NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7419 |
| logD: | 3.736 |
| logSw: | -4.2001 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.469 |
| InChI Key: | MBHHPSWQYMYFGC-UHFFFAOYSA-N |