2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
Compound ID: | F796-0363 |
Compound Name: | 2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
Molecular Weight: | 485.34 |
Molecular Formula: | C22 H21 Br N4 O4 |
Smiles: | COc1ccc(CCNC(CN2C=Nc3c4cc(ccc4[nH]c3C2=O)[Br])=O)cc1OC |
Stereo: | ACHIRAL |
logP: | 1.7223 |
logD: | 1.7223 |
logSw: | -2.457 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 73.871 |
InChI Key: | QCNCMKVXWKFLEY-UHFFFAOYSA-N |