3-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0888 |
| Compound Name: | 3-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 581.65 |
| Molecular Formula: | C31 H27 N5 O5 S |
| Smiles: | Cc1ccc2c(c1)NC(c1cc(c(cc1O2)Oc1ccc(C)cc1n1nc2ccccc2n1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.227 |
| logD: | 6.212 |
| logSw: | -5.4427 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.071 |
| InChI Key: | TUFYDCAFCOYYQZ-UHFFFAOYSA-N |