Chemical ID: 7415985

CN(C)CCCN1C(c2c(=O)c3ccc4ccccc4c3oc2C1=O)c5cccc(c5)OC
Chemical ID:
7415985
Name [?]:
None
SMILES [?]:
CN(C)CCCN1C(c2c(=O)c3ccc4ccccc4c3oc2C1=O)c5cccc(c5)OC
InChi [?]:
InChI=1/C27H26N2O4/c1-28(2)14-7-15-29-23(18-9-6-10-19(16-18)32-3)22-24(30)21-13-12-17-8-4-5-11-20(17)25(21)33-26(22)27(29)31/h4-6,8-13,16,23H,7,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,33,17,18,28,5,16,27,29,19,14,13,4,6,31,15,26,30,20,12,9,8,10,21,23,24,2,7,11,25,32,22/E:(1,2)/rA:33cCNCCCCNCCCOCCCCCCCCCCOCCOCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;s21;d9s22;s7s23;d24;s8;s26;d27;s28;d29;d26s30;s30;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H26N2O4
All Atoms:59
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.1011
Area:644.011
Solvation:-4.99919
Coulombic:-48.3474
Bond Count [?]
All:37
Single:26
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:442.506
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.81
LogP (Chemaxon):3.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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