6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(pyridin-3-yl)methyl]hexanamide
Chemical Structure Depiction of
6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(pyridin-3-yl)methyl]hexanamide
6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(pyridin-3-yl)methyl]hexanamide
Compound characteristics
| Compound ID: | C659-0029 |
| Compound Name: | 6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(pyridin-3-yl)methyl]hexanamide |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C23 H25 N5 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCCCC(NCc3cccnc3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 1.8867 |
| logD: | 1.8841 |
| logSw: | -2.2222 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.788 |
| InChI Key: | QGEOZRJYOKZCBJ-UHFFFAOYSA-N |