1-[4-(3-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[4-(3-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethan-1-one
1-[4-(3-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
Compound ID: | V004-1446 |
Compound Name: | 1-[4-(3-methoxydibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethan-1-one |
Molecular Weight: | 471.56 |
Molecular Formula: | C28 H29 N3 O4 |
Smiles: | COc1ccc(CC(N2CCCN(CC2)C2c3ccc(cc3Oc3ccccc3N=2)OC)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.2736 |
logD: | 3.7044 |
logSw: | -4.4659 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 49.609 |
InChI Key: | HXQOVIQRTPRIDB-UHFFFAOYSA-N |