N-butyl-2-[(8-methoxy-5-methyl-4-oxo-3-propyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-butyl-2-[(8-methoxy-5-methyl-4-oxo-3-propyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
N-butyl-2-[(8-methoxy-5-methyl-4-oxo-3-propyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | L880-0174 |
| Compound Name: | N-butyl-2-[(8-methoxy-5-methyl-4-oxo-3-propyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | CCCCNC(CSC1=Nc2c3cc(ccc3n(C)c2C(N1CCC)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3456 |
| logD: | 3.3456 |
| logSw: | -3.6691 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.82 |
| InChI Key: | HYQGODPREGVOHI-UHFFFAOYSA-N |