5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(oxolan-2-yl)methyl]pentanamide
Chemical Structure Depiction of
5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(oxolan-2-yl)methyl]pentanamide
5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(oxolan-2-yl)methyl]pentanamide
Compound characteristics
| Compound ID: | C675-0064 |
| Compound Name: | 5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(oxolan-2-yl)methyl]pentanamide |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C21 H26 N4 O4 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCCC(NCC3CCCO3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0739 |
| logD: | 1.0738 |
| logSw: | -2.3401 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.924 |
| InChI Key: | SNJNPPWYWLBXKX-CQSZACIVSA-N |