N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | K284-2930 |
Compound Name: | N-(5-methyl-1,2-oxazol-3-yl)-2-({4-oxo-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide |
Molecular Weight: | 546.65 |
Molecular Formula: | C28 H30 N6 O4 S |
Smiles: | Cc1cc(NC(CSC2=Nc3ccccc3C(N2CCCC(N2CCN(CC2)c2ccccc2)=O)=O)=O)no1 |
Stereo: | ACHIRAL |
logP: | 2.77 |
logD: | 2.7586 |
logSw: | -3.6077 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 90.347 |
InChI Key: | JWSOLFQRAJGXAQ-UHFFFAOYSA-N |