Chemical ID: 3967760

c1ccc2c(c1)c3c([nH]2)C4C56CCN(C(C5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC8
Chemical ID:
3967760
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C4C56CCN(C(C5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC8
InChi [?]:
InChI=1/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,30,31,25,24,12,13,19,17,28,29,20,5,7,4,23,15,21,8,22,10,11,16,9,14,26,18,27/E:(5,6)/rA:31cCCCCCCCCNCCCCNCCCOCCCCCCCOOCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;s13;s14;s11s15;s7s16;s16;s15;s19;s11s20;d21;s22;d23;d20s24;s23;s10s22;s14;s28;s29;s29s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H26N2O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:5
ZAP Information [?]
Total:9.10497
Area:573.444
Solvation:-5.23114
Coulombic:-58.0299
Bond Count [?]
All:38
Single:31
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:414.496
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.71
LogP (Chemaxon):3.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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