6-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
6-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
6-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | 3130-1463 |
| Compound Name: | 6-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 343.47 |
| Molecular Formula: | C21 H29 N O3 |
| Smiles: | CC(C)CN(CC(C)C)Cc1c(ccc2C3CCCC=3C(=O)Oc12)O |
| Stereo: | ACHIRAL |
| logP: | 4.6284 |
| logD: | 3.5142 |
| logSw: | -4.1219 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.662 |
| InChI Key: | NGXNLRWGXCVBNE-UHFFFAOYSA-N |