3-{[1-(3-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Chemical Structure Depiction of
3-{[1-(3-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
3-{[1-(3-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Compound characteristics
| Compound ID: | 8020-2240 |
| Compound Name: | 3-{[1-(3-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one |
| Molecular Weight: | 367.43 |
| Molecular Formula: | C18 H17 N5 O2 S |
| Smiles: | COc1cccc(c1)n1c(nnn1)SC1CCc2ccccc2NC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5348 |
| logD: | 3.5348 |
| logSw: | -3.7937 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.641 |
| InChI Key: | AUXZVFDUYGUIIA-INIZCTEOSA-N |