Chemical ID: 4507053

c1ccc(cc1)C(CN2CC3CC(C2)c4cccc(=O)n4C3)c5ccccc5
Chemical ID:
4507053
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C(CN2CC3CC(C2)c4cccc(=O)n4C3)c5ccccc5
InChi [?]:
InChI=1/C25H26N2O/c28-25-13-7-12-24-22-14-19(16-27(24)25)15-26(17-22)18-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,19,22-23H,14-18H2
InChi Info:
AuxInfo=1/0/N:1,26,2,6,25,27,17,3,5,24,28,16,18,12,10,22,14,8,11,4,23,13,7,15,19,9,21,20/E:(1,2)(3,4,5,6)(8,9,10,11)(20,21)/rA:28cCCCCCCCCNCCCCCCCCCCONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s9s13;s13;d15;s16;d17;s18;d19;s15s19;s11s21;s7;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H26N2O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:3
ZAP Information [?]
Total:10.2126
Area:526.646
Solvation:-2.95357
Coulombic:-23.6137
Bond Count [?]
All:32
Single:23
Double:9
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:370.487
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.35
LogP (Chemaxon):4.12

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Descriptor Annotations

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