1-[4-(3-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-[4-(3-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]-2-(thiophen-2-yl)ethan-1-one
1-[4-(3-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | V017-0491 |
| Compound Name: | 1-[4-(3-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-1,4-diazepan-1-yl]-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C26 H27 N3 O3 S |
| Smiles: | Cc1ccc2c(c1)Oc1cc(ccc1C(=N2)N1CCCN(CC1)C(Cc1cccs1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.338 |
| logD: | 3.3484 |
| logSw: | -4.4516 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.084 |
| InChI Key: | JMYHKVHENZKXBK-UHFFFAOYSA-N |