N-benzyl-2-[(cyanomethyl)sulfanyl]-3-(3-methoxyphenyl)-N-methyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-2-[(cyanomethyl)sulfanyl]-3-(3-methoxyphenyl)-N-methyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N-benzyl-2-[(cyanomethyl)sulfanyl]-3-(3-methoxyphenyl)-N-methyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G859-0316 |
| Compound Name: | N-benzyl-2-[(cyanomethyl)sulfanyl]-3-(3-methoxyphenyl)-N-methyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C26 H22 N4 O3 S |
| Smiles: | CN(Cc1ccccc1)C(c1ccc2C(N(C(=Nc2c1)SCC#N)c1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2838 |
| logD: | 3.2836 |
| logSw: | -3.727 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.617 |
| InChI Key: | NHRUBNIQDZHBLQ-UHFFFAOYSA-N |