Chemical ID: 4798339

CCCN1c2ccccc2C3(C1=O)c4c(=O)c5ccccc5oc4C(=O)N3Cc6ccc(cc6)C
Chemical ID:
4798339
Name [?]:
None
SMILES [?]:
CCCN1c2ccccc2C3(C1=O)c4c(=O)c5ccccc5oc4C(=O)N3Cc6ccc(cc6)C
InChi [?]:
InChI=1/C29H24N2O4/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)35-26(24)27(33)31(29)17-19-14-12-18(2)13-15-19/h4-15H,3,16-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,35,2,19,8,7,20,18,9,6,21,31,33,30,34,3,28,32,29,17,10,5,22,14,15,24,25,12,11,4,27,16,26,13,23/E:(12,13)(14,15)/rA:35cCCCNCCCCCCCCOCCOCCCCCCOCCONCCCCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H24N2O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:12.2199
Area:646.701
Solvation:-3.94761
Coulombic:-53.9591
Bond Count [?]
All:40
Single:27
Double:13
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:464.512
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.46
LogP (Chemaxon):4.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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