N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | C487-0169 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
Molecular Weight: | 542.55 |
Molecular Formula: | C29 H26 N4 O7 |
Smiles: | COc1ccc(cc1)NC(CN1C(N(CC=C)C(c2ccc(cc12)C(NCc1ccc2c(c1)OCO2)=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.4385 |
logD: | 3.4385 |
logSw: | -3.8214 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 103.739 |
InChI Key: | DJVCYLDSJACEBM-UHFFFAOYSA-N |