Chemical ID: 3967130

CC12C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)O)O
Chemical ID:
3967130
Name [?]:
None
SMILES [?]:
CC12C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)O)O
InChi [?]:
InChI=1/C26H19N3O5/c1-25-26(33,24(31)32)10-17(34-25)28-15-8-4-2-6-12(15)19-20-14(11-27-23(20)30)18-13-7-3-5-9-16(13)29(25)22(18)21(19)28/h2-9,17,33H,10-11H2,1H3,(H,27,30)(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,11,21,10,20,12,22,9,19,4,30,13,23,25,8,18,5,24,14,26,15,16,27,31,2,3,29,7,17,28,32,33,34,6/E:(31,32)/rA:34cCCCCCONCCCCCCCCCNCCCCCCCCCCONCCOOO/rB:s1;s2;s3;s4;s2s5;s5;s7;s8;d9;s10;d11;d8s12;s13;s7s14;d15;s2s16;s17;s18;d19;s20;d21;d18s22;s16s23;d24;d14s25;s26;d27;s27;s25s29;s3;d31;s31;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H19N3O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:3
ZAP Information [?]
Total:9.07532
Area:556.354
Solvation:-4.83352
Coulombic:-88.8359
Bond Count [?]
All:41
Single:30
Double:11
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:453.446
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:3.72
LogP (Chemaxon):4.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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