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benzyl N-{2-[(2-{[(benzyloxy)carbonyl]amino}ethyl)amino]ethyl}carbamate

benzyl N-{2-[(2-{[(benzyloxy)carbonyl]amino}ethyl)amino]ethyl}carbamate

CAS: 160256-75-7

Formula: C20H25N3O4

SMILES: O=C(NCCNCCNC(=O)OCC1=CC=CC=C1)OCC1=CC=CC=C1

IUPAC: benzyl N-{2-[(2-{[(benzyloxy)carbonyl]amino}ethyl)amino]ethyl}carbamate

InChI: InChI=1S/C20H25N3O4/c24-19(26-15-17-7-3-1-4-8-17)22-13-11-21-12-14-23-20(25)27-16-18-9-5-2-6-10-18/h1-10,21H,11-16H2,(H,22,24)(H,23,25)

Composition: C (64.67%), H (6.78%), N (11.31%), O (17.23%)

Molar Mass: 371.437

Atom Count: 52

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 371.184506297
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey DWPBEWIGNADCAX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.95
Topological Polar Surface Area 88.69
Polarizability 39.98
Ring Count 2
Rotatable Bond Count 12

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