Chemical ID: 4864998

CCN1CCC2(CC1)N3C(CC(=N3)c4ccc(cc4OC)OC)c5ccccc5O2
Chemical ID:
4864998
Name [?]:
None
SMILES [?]:
CCN1CCC2(CC1)N3C(CC(=N3)c4ccc(cc4OC)OC)c5ccccc5O2
InChi [?]:
InChI=1/C24H29N3O3/c1-4-26-13-11-24(12-14-26)27-21(19-7-5-6-8-22(19)30-24)16-20(25-27)18-10-9-17(28-2)15-23(18)29-3/h5-10,15,21H,4,11-14,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,21,2,26,27,25,28,16,15,5,7,4,8,18,11,17,14,24,12,10,29,19,6,13,3,9,22,20,30/E:(11,12)(13,14)/rA:30cCCNCCCCCNCCCNCCCCCCOCOCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s19;s20;s17;s22;s10;s24;d25;s26;d27;d24s28;s6s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29N3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:8.81783
Area:609.306
Solvation:-6.41484
Coulombic:-31.895
Bond Count [?]
All:34
Single:27
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:407.505
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.24
LogP (Chemaxon):3.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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