3-(3-methylbutyl)-2-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3-methylbutyl)-2-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
3-(3-methylbutyl)-2-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1320 |
| Compound Name: | 3-(3-methylbutyl)-2-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 504.65 |
| Molecular Formula: | C28 H32 N4 O3 S |
| Smiles: | CC(C)CCN1C(=Nc2cc(ccc2C1=O)C(NC(C)C)=O)SCC(c1c2ccccc2[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7725 |
| logD: | 4.7725 |
| logSw: | -4.6574 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.853 |
| InChI Key: | MHSXGJXHJOUGRK-UHFFFAOYSA-N |