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methyl (2E)-3-{hydroxy[4-({[4-({[(naphthalen-1-yl)carbamoyl]oxy}methyl)phenyl]methyl}amino)butyl]carbamoyl}prop-2-enoate

methyl (2E)-3-{hydroxy[4-({[4-({[(naphthalen-1-yl)carbamoyl]oxy}methyl)phenyl]methyl}amino)butyl]carbamoyl}prop-2-enoate

CAS: 1310877-95-2

Formula: C28H31N3O6

SMILES: COC(=O)C=CC(=O)N(O)CCCCNCC1=CC=C(COC(=O)NC2=C3C=CC=CC3=CC=C2)C=C1

IUPAC: methyl (2E)-3-{hydroxy[4-({[4-({[(naphthalen-1-yl)carbamoyl]oxy}methyl)phenyl]methyl}amino)butyl]carbamoyl}prop-2-enoate

InChI: InChI=1S/C28H31N3O6/c1-36-27(33)16-15-26(32)31(35)18-5-4-17-29-19-21-11-13-22(14-12-21)20-37-28(34)30-25-10-6-8-23-7-2-3-9-24(23)25/h2-3,6-16,29,35H,4-5,17-20H2,1H3,(H,30,34)/b16-15+

Composition: C (66.52%), H (6.18%), N (8.31%), O (18.99%)

Molar Mass: 505.571

Atom Count: 68

Heavy Atom Count: 37

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 505.22128573
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey MUJOCHRZXRZONW-FOCLMDBBSA-N
Lipinski's Rule of Five
Molar Refractivity 142.26
Topological Polar Surface Area 117.2
Polarizability 55.28
Ring Count 3
Rotatable Bond Count 14

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