4-(3-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-(3-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
4-(3-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V005-1500 |
| Compound Name: | 4-(3-methoxy-7-methyldibenzo[b,f][1,4]oxazepin-11-yl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C28 H30 N4 O3 |
| Smiles: | Cc1cccc(CNC(N2CCN(CC2)C2c3ccc(cc3Oc3cc(C)ccc3N=2)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9155 |
| logD: | 4.2874 |
| logSw: | -4.6342 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.405 |
| InChI Key: | OTXJIKQWUVWFIJ-UHFFFAOYSA-N |