2-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1228 |
| Compound Name: | 2-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 538.67 |
| Molecular Formula: | C31 H30 N4 O3 S |
| Smiles: | CCCNC(c1ccc2C(N(Cc3ccc(C)cc3)C(=Nc2c1)SCC(c1c2ccccc2[nH]c1C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.291 |
| logD: | 5.291 |
| logSw: | -5.4782 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.47 |
| InChI Key: | XBIYIZJHQGUHBI-UHFFFAOYSA-N |