(2H-1,3-benzodioxol-5-yl)[4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-2-methylpiperazin-1-yl]methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)[4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-2-methylpiperazin-1-yl]methanone
(2H-1,3-benzodioxol-5-yl)[4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-2-methylpiperazin-1-yl]methanone
Compound characteristics
| Compound ID: | V005-5181 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)[4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)-2-methylpiperazin-1-yl]methanone |
| Molecular Weight: | 469.54 |
| Molecular Formula: | C28 H27 N3 O4 |
| Smiles: | CC1CN(CCN1C(c1ccc2c(c1)OCO2)=O)C1c2cc(C)ccc2Oc2cc(C)ccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0031 |
| logD: | 4.4355 |
| logSw: | -4.5901 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.052 |
| InChI Key: | YNKFMILHWDOXDO-IBGZPJMESA-N |