2-[(3,5-dimethoxyphenyl)methyl]-1-(2-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
2-[(3,5-dimethoxyphenyl)methyl]-1-(2-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
2-[(3,5-dimethoxyphenyl)methyl]-1-(2-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
Compound ID: | V028-9771 |
Compound Name: | 2-[(3,5-dimethoxyphenyl)methyl]-1-(2-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
Molecular Weight: | 407.47 |
Molecular Formula: | C23 H25 N3 O4 |
Smiles: | COc1cc(CN2CCCn3cccc3C2c2ccccc2[N+]([O-])=O)cc(c1)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 4.4603 |
logD: | 3.3037 |
logSw: | -4.3345 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 54.11 |
InChI Key: | LTKRASHWUHSFHL-HSZRJFAPSA-N |