3-[5-([1,4'-bipiperidin]-1'-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[5-([1,4'-bipiperidin]-1'-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
3-[5-([1,4'-bipiperidin]-1'-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C675-0165 |
| Compound Name: | 3-[5-([1,4'-bipiperidin]-1'-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 497.66 |
| Molecular Formula: | C26 H35 N5 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCCC(N3CCC(CC3)N3CCCCC3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.6724 |
| logD: | -0.8832 |
| logSw: | -3.2058 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.284 |
| InChI Key: | JCBKXEWYUGETDV-UHFFFAOYSA-N |