Chemical ID: 4286403

Cc1ccc2c(c1)c3c4n2CCN(C4CCC3)CC(COc5ccccc5C)O
Chemical ID:
4286403
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c3c4n2CCN(C4CCC3)CC(COc5ccccc5C)O
InChi [?]:
InChI=1/C25H30N2O2/c1-17-10-11-22-21(14-17)20-7-5-8-23-25(20)27(22)13-12-26(23)15-19(28)16-29-24-9-4-3-6-18(24)2/h3-4,6,9-11,14,19,23,28H,5,7-8,12-13,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,25,24,16,26,17,15,23,3,4,12,11,7,18,20,2,27,19,8,6,5,14,22,9,13,10,29,21/rA:29cCCCCCCCCCNCCNCCCCCCCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s10;s11;s12;s9s13;s14;s15;s8s16;s13;s18;s19;s20;s21;s22;d23;s24;d25;d22s26;s27;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H30N2O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:3
ZAP Information [?]
Total:10.2711
Area:610.666
Solvation:-4.99556
Coulombic:-35.9218
Bond Count [?]
All:33
Single:26
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:390.518
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.33
LogP (Chemaxon):5.19

Name Annotations

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Descriptor Annotations

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