methyl 2-{4-[(5,8-dioxotetrahydro-3H-[1,3]thiazolo[3,4-a]pyrazin-7(1H)-yl)methyl]benzamido}benzoate
Chemical Structure Depiction of
methyl 2-{4-[(5,8-dioxotetrahydro-3H-[1,3]thiazolo[3,4-a]pyrazin-7(1H)-yl)methyl]benzamido}benzoate
methyl 2-{4-[(5,8-dioxotetrahydro-3H-[1,3]thiazolo[3,4-a]pyrazin-7(1H)-yl)methyl]benzamido}benzoate
Compound characteristics
| Compound ID: | E757-0062 |
| Compound Name: | methyl 2-{4-[(5,8-dioxotetrahydro-3H-[1,3]thiazolo[3,4-a]pyrazin-7(1H)-yl)methyl]benzamido}benzoate |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C22 H21 N3 O5 S |
| Smiles: | COC(c1ccccc1NC(c1ccc(CN2CC(N3CSCC3C2=O)=O)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6791 |
| logD: | 1.2687 |
| logSw: | -2.7529 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.224 |
| InChI Key: | WMNXJBFGCITLSS-GOSISDBHSA-N |