Chemical ID: 4568231

c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)CC(c6ccccc6)O
Chemical ID:
4568231
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)CC(c6ccccc6)O
InChi [?]:
InChI=1/C28H25N3O3/c32-24(18-9-3-1-4-10-18)16-30-17-25(33)31-23(28(30)34)15-21-20-13-7-8-14-22(20)29-26(21)27(31)19-11-5-2-6-12-19/h1-14,23-24,27,29,32H,15-17H2
InChi Info:
AuxInfo=1/0/N:31,1,30,32,2,6,12,13,29,33,3,5,11,14,17,26,22,28,4,10,9,15,18,27,20,8,7,24,16,23,19,34,21,25/E:(3,4)(5,6)(9,10)(11,12)/rA:34cCCCCCCCCCCCCCCCNCCNCOCNCOCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;s9;s17;s7s18;s19;d20;s20;s22;s18s23;d24;s23;s26;s27;s28;d29;s30;d31;d28s32;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H25N3O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:3
ZAP Information [?]
Total:11.2085
Area:649.074
Solvation:-5.01834
Coulombic:-64.1614
Bond Count [?]
All:39
Single:27
Double:12
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:451.517
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.05
LogP (Chemaxon):3.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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