N-[(3-bromophenyl)methyl]-4-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-4-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide
N-[(3-bromophenyl)methyl]-4-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide
Compound characteristics
| Compound ID: | F249-0200 |
| Compound Name: | N-[(3-bromophenyl)methyl]-4-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide |
| Molecular Weight: | 453.34 |
| Molecular Formula: | C22 H21 Br N4 O2 |
| Smiles: | CN1C(c2c(C=N1)c1ccccc1n2CCCC(NCc1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8026 |
| logD: | 2.8021 |
| logSw: | -3.2802 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.472 |
| InChI Key: | NQKIQQSMXKNLFL-UHFFFAOYSA-N |