N-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
Compound ID: | Y504-5297 |
Compound Name: | N-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
Molecular Weight: | 466.56 |
Molecular Formula: | C27 H22 N4 O2 S |
Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(Nc1nc(cs1)c1cccc2ccccc12)=O |
Stereo: | ACHIRAL |
logP: | 5.05 |
logD: | 5.047 |
logSw: | -5.5079 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.314 |
InChI Key: | KCOVCPMKLJXRIB-UHFFFAOYSA-N |