N-[(2-chlorophenyl)methyl]-1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2-chlorophenyl)methyl]-1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | C487-0122 |
Compound Name: | N-[(2-chlorophenyl)methyl]-1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
Molecular Weight: | 585.1 |
Molecular Formula: | C33 H33 Cl N4 O4 |
Smiles: | Cc1ccc(cc1)N1C(c2ccc(cc2N(CC(NCCC2CCCCC=2)=O)C1=O)C(NCc1ccccc1[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.7713 |
logD: | 4.7713 |
logSw: | -4.792 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 79.574 |
InChI Key: | UQHLGBSBWKDKIT-UHFFFAOYSA-N |