Chemical ID: 4516498

CC1C23CC(C14C5(C2N(CC5)CC=C3)c6ccccc6N4)C(=O)OC
Chemical ID:
4516498
Name [?]:
None
SMILES [?]:
CC1C23CC(C14C5(C2N(CC5)CC=C3)c6ccccc6N4)C(=O)OC
InChi [?]:
InChI=1/C21H24N2O2/c1-13-19-8-5-10-23-11-9-20(18(19)23)14-6-3-4-7-16(14)22-21(13,20)15(12-19)17(24)25-2/h3-8,13,15,18,22H,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,17,18,13,16,19,14,11,12,10,4,2,15,5,20,22,8,3,7,6,21,9,23,24/rA:25cCCCCCCCCNCCCCCCCCCCCNCOOC/rB:s1;s2;s3;s4;s2s5;s6;s3s7;s8;s9;s7s10;s9;s12;s3d13;s7;s15;d16;s17;d18;d15s19;s6s20;s5;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N2O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:7
ZAP Information [?]
Total:21.7122
Area:0.0
Solvation:21.7122
Coulombic:0.0
Bond Count [?]
All:30
Single:25
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:336.428
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.75
LogP (Chemaxon):2.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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