6-{[5-(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-(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-(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: | K906-4905 |
| Compound Name: | 6-{[5-(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: | 455.51 |
| Molecular Formula: | C21 H17 N3 O5 S2 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)S(c1ccc(CN2C(c3cccnc3C2=O)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1363 |
| logD: | 2.1363 |
| logSw: | -2.9886 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.522 |
| InChI Key: | UYSMORVDZQNQGC-UHFFFAOYSA-N |