2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(4-phenylbutan-2-yl)acetamide
Chemical Structure Depiction of
2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(4-phenylbutan-2-yl)acetamide
2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(4-phenylbutan-2-yl)acetamide
Compound characteristics
| Compound ID: | C676-0099 |
| Compound Name: | 2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(4-phenylbutan-2-yl)acetamide |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | CC(CCc1ccccc1)NC(CN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1494 |
| logD: | 3.1494 |
| logSw: | -3.4949 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.733 |
| InChI Key: | RONPANZEFGBDDG-AWEZNQCLSA-N |