8-methyl-3-(4-methylpiperazin-1-yl)-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
8-methyl-3-(4-methylpiperazin-1-yl)-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
8-methyl-3-(4-methylpiperazin-1-yl)-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-1008 |
| Compound Name: | 8-methyl-3-(4-methylpiperazin-1-yl)-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 484.62 |
| Molecular Formula: | C25 H32 N4 O4 S |
| Smiles: | CC1CCN(CC1)S(c1cc2C(Nc3cc(C)ccc3Oc2cc1N1CCN(C)CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8088 |
| logD: | 3.4422 |
| logSw: | -4.0132 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.679 |
| InChI Key: | IHMJQOGMMGVHGZ-UHFFFAOYSA-N |