8-methoxy-3-[5-oxo-5-(piperidin-1-yl)pentyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-methoxy-3-[5-oxo-5-(piperidin-1-yl)pentyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
8-methoxy-3-[5-oxo-5-(piperidin-1-yl)pentyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C675-0145 |
| Compound Name: | 8-methoxy-3-[5-oxo-5-(piperidin-1-yl)pentyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCCC(N3CCCCC3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.3239 |
| logD: | 2.3238 |
| logSw: | -2.998 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.191 |
| InChI Key: | ADXNDIMEAHPUMX-UHFFFAOYSA-N |