N-butyl-2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-butyl-2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
N-butyl-2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | L880-0056 |
| Compound Name: | N-butyl-2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C20 H26 N4 O3 S |
| Smiles: | CCCCNC(CSC1=Nc2c3cc(ccc3n(C)c2C(N1CC)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8562 |
| logD: | 2.8562 |
| logSw: | -3.2997 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.567 |
| InChI Key: | ISKBGVAQKXLJOT-UHFFFAOYSA-N |