5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(2-sulfanylethyl)pentanamide
Chemical Structure Depiction of
5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(2-sulfanylethyl)pentanamide
5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(2-sulfanylethyl)pentanamide
Compound characteristics
| Compound ID: | C675-0120 |
| Compound Name: | 5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(2-sulfanylethyl)pentanamide |
| Molecular Weight: | 406.52 |
| Molecular Formula: | C18 H22 N4 O3 S2 |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCCC(NCCS)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 1.3872 |
| logD: | 1.3871 |
| logSw: | -2.365 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 67.383 |
| InChI Key: | WWBOIXVWEATMJL-UHFFFAOYSA-N |