3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
Compound ID: | C676-0198 |
Compound Name: | 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
Molecular Weight: | 463.56 |
Molecular Formula: | C24 H25 N5 O3 S |
Smiles: | COc1ccc2c(c1)c1c(C(N(CC(N3CCN(CC3)Cc3ccccc3)=O)C(N1)=S)=O)[nH]2 |
Stereo: | ACHIRAL |
logP: | 1.8655 |
logD: | 1.85 |
logSw: | -2.7613 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 62.753 |
InChI Key: | INLLKPFYMBZJKL-UHFFFAOYSA-N |