4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(oxolan-2-yl)methyl]butanamide
Chemical Structure Depiction of
4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(oxolan-2-yl)methyl]butanamide
4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(oxolan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | C664-0070 |
| Compound Name: | 4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(oxolan-2-yl)methyl]butanamide |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C20 H24 N4 O4 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCC(NCC3CCCO3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5598 |
| logD: | 0.5597 |
| logSw: | -2.2467 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.924 |
| InChI Key: | WLYBYPTUGOOANV-CYBMUJFWSA-N |