8-methoxy-3-[4-(2-methylpiperidin-1-yl)-4-oxobutyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-methoxy-3-[4-(2-methylpiperidin-1-yl)-4-oxobutyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
8-methoxy-3-[4-(2-methylpiperidin-1-yl)-4-oxobutyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C664-0189 |
| Compound Name: | 8-methoxy-3-[4-(2-methylpiperidin-1-yl)-4-oxobutyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | CC1CCCCN1C(CCCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2188 |
| logD: | 2.2187 |
| logSw: | -2.9136 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.476 |
| InChI Key: | IJBMMVQXPWHXNG-ZDUSSCGKSA-N |