N-[(3-bromophenyl)methyl]-2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-yl)acetamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-yl)acetamide
N-[(3-bromophenyl)methyl]-2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-yl)acetamide
Compound characteristics
| Compound ID: | S466-0555 |
| Compound Name: | N-[(3-bromophenyl)methyl]-2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-yl)acetamide |
| Molecular Weight: | 443.34 |
| Molecular Formula: | C21 H23 Br N4 O2 |
| Smiles: | Cc1cc2c(C(N3CCCCCC3=N2)=O)n1CC(NCc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8174 |
| logD: | 2.8174 |
| logSw: | -3.2409 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.754 |
| InChI Key: | BQSXEUVOBFQDPM-UHFFFAOYSA-N |