4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-[(oxolan-2-yl)methyl]benzamide
4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | C674-0039 |
| Compound Name: | 4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C24 H24 N4 O4 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(Cc3ccc(cc3)C(NCC3CCCO3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2624 |
| logD: | 2.2624 |
| logSw: | -2.9186 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.888 |
| InChI Key: | LWXKWJMDESTZRM-QGZVFWFLSA-N |