Chemical ID: 4576553

Cc1ccccc1C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)C(C)c6ccccc6
Chemical ID:
4576553
Name [?]:
None
SMILES [?]:
Cc1ccccc1C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)C(C)c6ccccc6
InChi [?]:
InChI=1/C29H27N3O2/c1-18-10-6-7-13-21(18)28-27-23(22-14-8-9-15-24(22)30-27)16-25-29(34)31(17-26(33)32(25)28)19(2)20-11-4-3-5-12-20/h3-15,19,25,28,30H,16-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,32,31,33,4,5,13,14,3,30,34,6,12,15,18,23,2,27,29,7,11,10,16,19,21,9,8,25,17,24,20,22,26/E:(4,5)(11,12)/rA:34cCCCCCCCCCCCCCCCCNCCNCOCNCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s10;s18;s8s19;s20;d21;s21;s23;s19s24;d25;s24;s27;s27;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H27N3O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:3
ZAP Information [?]
Total:12.113
Area:634.493
Solvation:-3.74928
Coulombic:-47.8086
Bond Count [?]
All:39
Single:27
Double:12
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:449.544
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.62
LogP (Chemaxon):4.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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