N-[(furan-2-yl)methyl]-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]benzamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]benzamide
N-[(furan-2-yl)methyl]-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | C674-0002 |
| Compound Name: | N-[(furan-2-yl)methyl]-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]benzamide |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C24 H20 N4 O4 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(Cc3ccc(cc3)C(NCc3ccco3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.4624 |
| logD: | 3.4624 |
| logSw: | -3.9071 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.982 |
| InChI Key: | WECYCAIISNFRIB-UHFFFAOYSA-N |