8-methoxy-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-methoxy-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
8-methoxy-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C664-0156 |
| Compound Name: | 8-methoxy-3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C19 H22 N4 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCC(N3CCCC3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 1.5908 |
| logD: | 1.5907 |
| logSw: | -2.4323 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.557 |
| InChI Key: | KSAAVWLALUHHIU-UHFFFAOYSA-N |