Chemical ID: 4804402

Cc1ccc(cc1)CN2C(=O)c3c(c(=O)c4ccccc4o3)C25c6ccccc6N(C5=O)CC=C
Chemical ID:
4804402
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)CN2C(=O)c3c(c(=O)c4ccccc4o3)C25c6ccccc6N(C5=O)CC=C
InChi [?]:
InChI=1/C29H22N2O4/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/h3-15H,1,16-17H2,2H3
InChi Info:
AuxInfo=1/0/N:35,1,34,18,26,27,19,17,25,28,20,3,7,4,6,33,8,2,5,16,24,29,21,13,14,12,10,31,23,30,9,15,11,32,22/E:(12,13)(14,15)/rA:35cCCCCCCCCNCOCCCOCCCCCCOCCCCCCCNCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;d12;s13;d14;s14;s16;d17;s18;d19;d16s20;s12s21;s9s13;s23;s24;d25;s26;d27;d24s28;s29;s23s30;d31;s30;s33;d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H22N2O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:11.8433
Area:638.251
Solvation:-4.11296
Coulombic:-55.0324
Bond Count [?]
All:40
Single:26
Double:14
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:462.496
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.3
LogP (Chemaxon):4.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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