N-[(4-bromophenyl)methyl]-3-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-3-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
N-[(4-bromophenyl)methyl]-3-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Compound characteristics
| Compound ID: | F797-0529 |
| Compound Name: | N-[(4-bromophenyl)methyl]-3-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide |
| Molecular Weight: | 425.28 |
| Molecular Formula: | C20 H17 Br N4 O2 |
| Smiles: | C(CN1C=Nc2c3ccccc3[nH]c2C1=O)C(NCc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7013 |
| logD: | 2.7013 |
| logSw: | -2.9654 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.747 |
| InChI Key: | VOHAMGPHAWZVEK-UHFFFAOYSA-N |