2-[(4-tert-butylphenyl)methyl]-1-(2-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
2-[(4-tert-butylphenyl)methyl]-1-(2-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
2-[(4-tert-butylphenyl)methyl]-1-(2-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
Compound ID: | V008-4420 |
Compound Name: | 2-[(4-tert-butylphenyl)methyl]-1-(2-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
Molecular Weight: | 403.52 |
Molecular Formula: | C25 H29 N3 O2 |
Salt: | not_available |
Smiles: | CC(C)(C)c1ccc(CN2CCCn3cccc3C2c2ccccc2[N+]([O-])=O)cc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 6.1249 |
logD: | 6.0999 |
logSw: | -5.6116 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 39.022 |
InChI Key: | KGSRWCMZGHEILF-XMMPIXPASA-N |