7-methyl-9-[(1H-tetrazol-5-yl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
7-methyl-9-[(1H-tetrazol-5-yl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
7-methyl-9-[(1H-tetrazol-5-yl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y042-9301 |
| Compound Name: | 7-methyl-9-[(1H-tetrazol-5-yl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 298.3 |
| Molecular Formula: | C15 H14 N4 O3 |
| Smiles: | Cc1cc(c2C3CCCC=3C(=O)Oc2c1)OCc1nnn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.1231 |
| logD: | 0.0683 |
| logSw: | -2.5053 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.136 |
| InChI Key: | GYGSCMSWARBFFZ-UHFFFAOYSA-N |