3-methyl-1-[(1H-tetrazol-5-yl)methoxy]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Chemical Structure Depiction of
3-methyl-1-[(1H-tetrazol-5-yl)methoxy]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
3-methyl-1-[(1H-tetrazol-5-yl)methoxy]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Compound characteristics
| Compound ID: | D715-1044 |
| Compound Name: | 3-methyl-1-[(1H-tetrazol-5-yl)methoxy]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one |
| Molecular Weight: | 312.33 |
| Molecular Formula: | C16 H16 N4 O3 |
| Smiles: | Cc1cc(c2C3CCCCC=3C(=O)Oc2c1)OCc1nnn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.9204 |
| logD: | 0.8656 |
| logSw: | -3.0965 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.77 |
| InChI Key: | TVPKALLWKKKSBI-UHFFFAOYSA-N |