8-chloro-7-[(1H-tetrazol-5-yl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
8-chloro-7-[(1H-tetrazol-5-yl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
8-chloro-7-[(1H-tetrazol-5-yl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | D715-1040 |
| Compound Name: | 8-chloro-7-[(1H-tetrazol-5-yl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 318.72 |
| Molecular Formula: | C14 H11 Cl N4 O3 |
| Smiles: | C1CC2=C(C1)c1cc(c(cc1OC2=O)OCc1nnn[nH]1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.4255 |
| logD: | 0.3707 |
| logSw: | -3.5721 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.136 |
| InChI Key: | SKYVSEPYOJCZFX-UHFFFAOYSA-N |