2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3,3-diethoxypropyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3,3-diethoxypropyl)quinazolin-4(3H)-one
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3,3-diethoxypropyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-4590 |
| Compound Name: | 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3,3-diethoxypropyl)quinazolin-4(3H)-one |
| Molecular Weight: | 447.6 |
| Molecular Formula: | C23 H33 N3 O4 S |
| Smiles: | CCOC(CCN1C(=Nc2ccccc2C1=O)SCC(N1CCCCCC1)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.9211 |
| logD: | 2.9211 |
| logSw: | -3.5312 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.398 |
| InChI Key: | JNQAGABXSKDSGC-UHFFFAOYSA-N |