3-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0545 |
| Compound Name: | 3-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 595.68 |
| Molecular Formula: | C32 H29 N5 O5 S |
| Smiles: | CC1CCN(CC1)S(c1cc2C(Nc3ccccc3Oc2cc1Oc1ccc(C)cc1n1nc2ccccc2n1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9477 |
| logD: | 6.9251 |
| logSw: | -5.6556 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.705 |
| InChI Key: | CHRCELUXPGQCNS-UHFFFAOYSA-N |