| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2009 | 18 | Yes |
Popular Name: Ethyl 4-(1,4-diazepan-1-yl)benzoate Ethyl 4-(1,4-diazepan-1-yl)benzoate
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CAS Numbers: 234081-75-5 , [234081-75-5]
4-[1,4]Diazepan-1-yl-benzoic acid ethyl ester
Benzoic acid,4-(hexahydro-1H-1,4-diazepin-1-yl)-, ethyl ester
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.15 | 5.65 | -49.24 | 2 | 4 | 1 | 46 | 249.334 | 4 | ↓ |
