2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
Chemical Structure Depiction of
2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
Compound characteristics
| Compound ID: | F796-0400 |
| Compound Name: | 2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide |
| Molecular Weight: | 457.33 |
| Molecular Formula: | C20 H21 Br N6 O2 |
| Smiles: | CCn1c(C)c(CNC(CN2C=Nc3c4cc(ccc4[nH]c3C2=O)[Br])=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.7158 |
| logD: | 1.7158 |
| logSw: | -2.4344 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.047 |
| InChI Key: | ZKABEUAFLIGPBY-UHFFFAOYSA-N |