5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(prop-2-en-1-yl)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-(prop-2-en-1-yl)pentanamide
5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(prop-2-en-1-yl)pentanamide
Compound characteristics
| Compound ID: | C675-0059 |
| Compound Name: | 5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(prop-2-en-1-yl)pentanamide |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C19 H22 N4 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCCC(NCC=C)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 1.353 |
| logD: | 1.3529 |
| logSw: | -2.366 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.383 |
| InChI Key: | QTBZSCAPYMLTLE-UHFFFAOYSA-N |