3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C664-0181 |
| Compound Name: | 3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 490.62 |
| Molecular Formula: | C27 H30 N4 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCC(N3CCC(CC3)Cc3ccccc3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.7806 |
| logD: | 3.7805 |
| logSw: | -4.2638 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.919 |
| InChI Key: | MFBAWNVIKACFRZ-UHFFFAOYSA-N |