Chemical ID: 4808250

CCCN1c2ccccc2C3(C1=O)c4c(=O)c5ccccc5oc4C(=O)N3Cc6ccc(cc6)OC
Chemical ID:
4808250
Name [?]:
None
SMILES [?]:
CCCN1c2ccccc2C3(C1=O)c4c(=O)c5ccccc5oc4C(=O)N3Cc6ccc(cc6)OC
InChi [?]:
InChI=1/C29H24N2O5/c1-3-16-30-22-10-6-5-9-21(22)29(28(30)34)24-25(32)20-8-4-7-11-23(20)36-26(24)27(33)31(29)17-18-12-14-19(35-2)15-13-18/h4-15H,3,16-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,36,2,19,8,7,20,18,9,6,21,30,34,31,33,3,28,29,32,17,10,5,22,14,15,24,25,12,11,4,27,16,26,13,35,23/E:(12,13)(14,15)/rA:36cCCCNCCCCCCCCOCCOCCCCCCOCCONCCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;d12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s11s25;s27;s28;s29;d30;s31;d32;d29s33;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H24N2O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:11.2166
Area:660.035
Solvation:-5.28424
Coulombic:-60.4686
Bond Count [?]
All:41
Single:28
Double:13
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:480.511
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.94
LogP (Chemaxon):3.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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