3-[2-(cyclohex-1-en-1-yl)ethyl]-N-(2,2-dimethoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[2-(cyclohex-1-en-1-yl)ethyl]-N-(2,2-dimethoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[2-(cyclohex-1-en-1-yl)ethyl]-N-(2,2-dimethoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | K288-0439 |
Compound Name: | 3-[2-(cyclohex-1-en-1-yl)ethyl]-N-(2,2-dimethoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
Molecular Weight: | 417.53 |
Molecular Formula: | C21 H27 N3 O4 S |
Smiles: | COC(CNC(c1ccc2C(N(CCC3CCCCC=3)C(Nc2c1)=S)=O)=O)OC |
Stereo: | ACHIRAL |
logP: | 2.4797 |
logD: | 2.4765 |
logSw: | -3.1005 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 67.668 |
InChI Key: | LXKOTHMYCREENO-UHFFFAOYSA-N |