3-[(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]pyrazine-2-carboxylic acid
Chemical Structure Depiction of
3-[(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]pyrazine-2-carboxylic acid
3-[(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]pyrazine-2-carboxylic acid
Compound characteristics
| Compound ID: | IB06-1391 |
| Compound Name: | 3-[(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbamoyl]pyrazine-2-carboxylic acid |
| Molecular Weight: | 328.28 |
| Molecular Formula: | C15 H12 N4 O5 |
| Smiles: | CN1C(COc2ccc(cc12)NC(c1c(C(O)=O)nccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.56 |
| logD: | -6.01 |
| logSw: | -1.51 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 183.31 |
| InChI Key: | NAQMJLATCZGWII-UHFFFAOYSA-N |