2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide
2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F796-0386 |
| Compound Name: | 2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 441.28 |
| Molecular Formula: | C20 H17 Br N4 O3 |
| Smiles: | COc1cccc(CNC(CN2C=Nc3c4cc(ccc4[nH]c3C2=O)[Br])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.5278 |
| logD: | 2.5278 |
| logSw: | -2.8097 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.312 |
| InChI Key: | ZFHJQBHJWUZLEO-UHFFFAOYSA-N |