1-[4-(3-chlorophenyl)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-(3-chlorophenyl)piperazin-1-yl]-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}ethan-1-one
1-[4-(3-chlorophenyl)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: | K297-1131 |
Compound Name: | 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}ethan-1-one |
Molecular Weight: | 497.04 |
Molecular Formula: | C23 H21 Cl N6 O S2 |
Smiles: | C(C(N1CCN(CC1)c1cccc(c1)[Cl])=O)c1csc(NC2c3ccccc3NC(N=2)=S)n1 |
Stereo: | ACHIRAL |
logP: | 4.4955 |
logD: | 1.8409 |
logSw: | -4.5969 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 59.663 |
InChI Key: | XDYBPMMBQCHQNA-UHFFFAOYSA-N |