6-{[5-(2-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)thiophen-2-yl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Chemical Structure Depiction of
6-{[5-(2-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)thiophen-2-yl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
6-{[5-(2-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)thiophen-2-yl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Compound characteristics
| Compound ID: | K906-4906 |
| Compound Name: | 6-{[5-(2-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)thiophen-2-yl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C21 H17 N3 O5 S2 |
| Smiles: | CC1CN(c2ccccc2O1)S(c1ccc(CN2C(c3cccnc3C2=O)=O)s1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9751 |
| logD: | 1.9751 |
| logSw: | -2.7982 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.62 |
| InChI Key: | KREQDNIMBHYZLU-CYBMUJFWSA-N |