2-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}-3-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}-3-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}-3-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1346 |
| Compound Name: | 2-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}-3-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 504.65 |
| Molecular Formula: | C28 H32 N4 O3 S |
| Smiles: | CC(C)CCN1C(=Nc2cc(ccc2C1=O)C(NCC(C)C)=O)SCC(c1c[nH]c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1699 |
| logD: | 5.1699 |
| logSw: | -5.0648 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.824 |
| InChI Key: | YWELPANQFJUYTR-UHFFFAOYSA-N |