N-(2,4-dimethoxyphenyl)-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide
N-(2,4-dimethoxyphenyl)-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide
Compound characteristics
| Compound ID: | C675-0019 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C24 H26 N4 O5 S |
| Smiles: | COc1ccc(c(c1)OC)NC(CCCCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6634 |
| logD: | 2.6632 |
| logSw: | -3.2282 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.424 |
| InChI Key: | ISPQZMJAUFMLSM-UHFFFAOYSA-N |