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Chemical ID: 7346007
Chemical ID:
7346007
Name [?]:
None
SMILES [?]:
CC(C)CCNC(=O)C1Cc2c3ccccc3[nH]c2C4N1C(=O)c5c4cccc5
InChi [?]:
InChI=1/C24H25N3O2/c1-14(2)11-12-25-23(28)20-13-18-15-7-5-6-10-19(15)26-21(18)22-16-8-3-4-9-17(16)24(29)27(20)22/h3-10,14,20,22,26H,11-13H2,1-2H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,3,27,28,14,15,13,26,29,16,4,5,10,2,12,25,24,11,17,9,19,20,7,22,6,18,21,8,23/E:(1,2)/rA:29cCCCCCNCOCCCCCCCCCNCCNCOCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;d11s18;s19;s9s20;s21;d22;s22;s20s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25N3O2 |
All Atoms: | 54 |
Heavy Atoms: | 29 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.9014 |
Area: | 603.08 |
Solvation: | -3.17558 |
Coulombic: | -52.3002 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 387.474 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.89 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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