N-cycloheptyl-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-cycloheptyl-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-cycloheptyl-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | K288-0488 |
Compound Name: | N-cycloheptyl-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
Molecular Weight: | 425.59 |
Molecular Formula: | C24 H31 N3 O2 S |
Smiles: | C1CCCC(CC1)NC(c1ccc2C(N(CCC3CCCCC=3)C(Nc2c1)=S)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.2596 |
logD: | 5.2564 |
logSw: | -5.3025 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 51.958 |
InChI Key: | WDMJESXXAJSHMB-UHFFFAOYSA-N |