methyl 2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanoate
Chemical Structure Depiction of
methyl 2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanoate
methyl 2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | G856-0797 |
| Compound Name: | methyl 2-[(3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanoate |
| Molecular Weight: | 317.36 |
| Molecular Formula: | C15 H15 N3 O3 S |
| Smiles: | CC(C(=O)OC)SC1=Nc2c3ccccc3[nH]c2C(N1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1334 |
| logD: | 2.1334 |
| logSw: | -2.7236 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.212 |
| InChI Key: | KUWWATPSOUNJAM-QMMMGPOBSA-N |