methyl 2-{2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | M060-0082 |
| Compound Name: | methyl 2-{2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C20 H16 N4 O3 S |
| Smiles: | COC(c1ccccc1NC(CSc1c2c(c3ccccc3[nH]2)ncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1036 |
| logD: | 3.0871 |
| logSw: | -3.5252 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.125 |
| InChI Key: | NDBZGFMDLOKMKZ-UHFFFAOYSA-N |