8-[(dimethylamino)methyl]-6,7-dihydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
8-[(dimethylamino)methyl]-6,7-dihydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
8-[(dimethylamino)methyl]-6,7-dihydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-7543 |
| Compound Name: | 8-[(dimethylamino)methyl]-6,7-dihydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 275.3 |
| Molecular Formula: | C15 H17 N O4 |
| Smiles: | CN(C)Cc1cc2C3CCCC=3C(=O)Oc2c(c1O)O |
| Stereo: | ACHIRAL |
| logP: | 1.9194 |
| logD: | -0.0313 |
| logSw: | -2.4994 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.977 |
| InChI Key: | MQVCTHIVDZNWKO-UHFFFAOYSA-N |