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Chemical ID: 7354922
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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