1-[4-(4-nitrophenyl)piperazin-1-yl]-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-[4-(4-nitrophenyl)piperazin-1-yl]-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}ethan-1-one
1-[4-(4-nitrophenyl)piperazin-1-yl]-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | K297-1130 |
| Compound Name: | 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}ethan-1-one |
| Molecular Weight: | 507.59 |
| Molecular Formula: | C23 H21 N7 O3 S2 |
| Smiles: | C(C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)c1csc(NC2c3ccccc3NC(N=2)=S)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9591 |
| logD: | 1.3045 |
| logSw: | -4.2124 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.044 |
| InChI Key: | IBCOWQCOZRUDAI-UHFFFAOYSA-N |