Chemical ID: 4826841

CCCN1CCC2(CC1)N3C(CC(=N3)c4ccc(cc4OC)OC)c5ccccc5O2
Chemical ID:
4826841
Name [?]:
None
SMILES [?]:
CCCN1CCC2(CC1)N3C(CC(=N3)c4ccc(cc4OC)OC)c5ccccc5O2
InChi [?]:
InChI=1/C25H31N3O3/c1-4-13-27-14-11-25(12-15-27)28-22(20-7-5-6-8-23(20)31-25)17-21(26-28)19-10-9-18(29-2)16-24(19)30-3/h5-10,16,22H,4,11-15,17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,22,2,27,28,26,29,17,16,6,8,3,5,9,19,12,18,15,25,13,11,30,20,7,14,4,10,23,21,31/E:(11,12)(14,15)/rA:31cCCCNCCCCCNCCCNCCCCCCOCOCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s7;s10;s11;s12;s10d13;s13;s15;d16;s17;d18;d15s19;s20;s21;s18;s23;s11;s25;d26;s27;d28;d25s29;s7s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H31N3O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:9.52617
Area:635.705
Solvation:-6.36645
Coulombic:-32.2878
Bond Count [?]
All:35
Single:28
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:421.532
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.6
LogP (Chemaxon):4.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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