9-(3-ethoxy-4-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8(5H)-one
Chemical Structure Depiction of
9-(3-ethoxy-4-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8(5H)-one
9-(3-ethoxy-4-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8(5H)-one
Compound characteristics
| Compound ID: | 8018-0828 |
| Compound Name: | 9-(3-ethoxy-4-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8(5H)-one |
| Molecular Weight: | 370.41 |
| Molecular Formula: | C19 H22 N4 O4 |
| Smiles: | CCOc1cc(ccc1O)C1C2=C(CC(C)(C)CC2=O)Nc2c(N1)non2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1221 |
| logD: | 1.0555 |
| logSw: | -3.0664 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.276 |
| InChI Key: | WHOFQUMPOAVWNT-INIZCTEOSA-N |