6-{[5-(2-ethyl-6-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-ethyl-6-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-ethyl-6-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: | K906-4903 |
| Compound Name: | 6-{[5-(2-ethyl-6-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: | 483.56 |
| Molecular Formula: | C23 H21 N3 O5 S2 |
| Smiles: | CCC1CN(c2cc(C)ccc2O1)S(c1ccc(CN2C(c3cccnc3C2=O)=O)s1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8131 |
| logD: | 2.8131 |
| logSw: | -3.3952 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.814 |
| InChI Key: | SAGFJGPOWDTQLL-OAHLLOKOSA-N |