2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(pyridin-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(pyridin-2-yl)methyl]acetamide
2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(pyridin-2-yl)methyl]acetamide
Compound characteristics
Compound ID: | C676-0009 |
Compound Name: | 2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(pyridin-2-yl)methyl]acetamide |
Molecular Weight: | 395.44 |
Molecular Formula: | C19 H17 N5 O3 S |
Smiles: | COc1ccc2c(c1)c1c(C(N(CC(NCc3ccccn3)=O)C(N1)=S)=O)[nH]2 |
Stereo: | ACHIRAL |
logP: | 1.2887 |
logD: | 1.2876 |
logSw: | -2.4685 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 76.835 |
InChI Key: | ZJTBRCPEHJBKRR-UHFFFAOYSA-N |