11-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8019-5801 |
| Compound Name: | 11-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C25 H26 N2 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)OC)OCC#C)Nc3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0473 |
| logD: | 4.0368 |
| logSw: | -4.2469 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.883 |
| InChI Key: | FANFQNSBNPTASQ-DEOSSOPVSA-N |