3-benzyl-2-{[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-2-{[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
3-benzyl-2-{[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0068 |
| Compound Name: | 3-benzyl-2-{[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 540.64 |
| Molecular Formula: | C30 H28 N4 O4 S |
| Smiles: | CC(C)NC(c1ccc2C(N(Cc3ccccc3)C(=Nc2c1)SCC(c1c[nH]c2ccc(cc12)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7275 |
| logD: | 4.7275 |
| logSw: | -4.5896 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.092 |
| InChI Key: | DTBOHSRQZSZROV-UHFFFAOYSA-N |