Chemical ID: 7354922

CC(C)CC(C(=O)NCc1ccco1)NC(=O)C2Cc3c4ccccc4[nH]c3C5N2C(=O)c6c5cccc6
Chemical ID:
7354922
Name [?]:
None
SMILES [?]:
CC(C)CC(C(=O)NCc1ccco1)NC(=O)C2Cc3c4ccccc4[nH]c3C5N2C(=O)c6c5cccc6
InChi [?]:
InChI=1/C30H30N4O4/c1-17(2)14-24(28(35)31-16-18-8-7-13-38-18)33-29(36)25-15-22-19-9-5-6-12-23(19)32-26(22)27-20-10-3-4-11-21(20)30(37)34(25)27/h3-13,17,24-25,27,32H,14-16H2,1-2H3,(H,31,35)(H,33,36)
InChi Info:
AuxInfo=1/1/N:1,3,36,37,23,24,12,11,22,35,38,25,13,4,19,9,2,10,21,34,33,20,26,5,18,28,29,6,16,31,8,27,15,30,7,17,32,14/E:(1,2)/rA:38cCCCCCCONCCCCCONCOCCCCCCCCCNCCNCOCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;d10;s11;d12;s10s13;s5;s15;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;s26;d20s27;s28;s18s29;s30;d31;s31;s29s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H30N4O4
All Atoms:68
Heavy Atoms:38
Chiral Atoms:3
ZAP Information [?]
Total:13.2603
Area:731.319
Solvation:-5.02272
Coulombic:-79.9852
Bond Count [?]
All:43
Single:31
Double:12
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:510.584
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.57
LogP (Chemaxon):3.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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