4-{[(1-benzyl-1H-tetrazol-5-yl)sulfanyl]acetyl}-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
4-{[(1-benzyl-1H-tetrazol-5-yl)sulfanyl]acetyl}-3,4-dihydroquinoxalin-2(1H)-one
4-{[(1-benzyl-1H-tetrazol-5-yl)sulfanyl]acetyl}-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | 8017-3984 |
| Compound Name: | 4-{[(1-benzyl-1H-tetrazol-5-yl)sulfanyl]acetyl}-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 380.43 |
| Molecular Formula: | C18 H16 N6 O2 S |
| Smiles: | C1C(Nc2ccccc2N1C(CSc1nnnn1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7882 |
| logD: | 1.7868 |
| logSw: | -2.4256 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.643 |
| InChI Key: | XCDBNRUDOGMKGY-UHFFFAOYSA-N |