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Chemical ID: 7347069
Chemical ID:
7347069
Name [?]:
None
SMILES [?]:
CC(c1ccccc1)NC(=O)C2Cc3c4ccccc4[nH]c3C5N2C(=O)c6c5cccc6
InChi [?]:
InChI=1/C27H23N3O2/c1-16(17-9-3-2-4-10-17)28-26(31)23-15-21-18-11-7-8-14-22(18)29-24(21)25-19-12-5-6-13-20(19)27(32)30(23)25/h2-14,16,23,25,29H,15H2,1H3,(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,30,31,17,18,4,8,16,29,32,19,13,2,3,15,28,27,14,20,12,22,23,10,25,9,21,24,11,26/E:(3,4)(9,10)/rA:32cCCCCCCCCNCOCCCCCCCCCNCCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;d14s21;s22;s12s23;s24;d25;s25;s23s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H23N3O2 |
All Atoms: | 55 |
Heavy Atoms: | 32 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 12.3323 |
Area: | 631.197 |
Solvation: | -3.44759 |
Coulombic: | -53.2509 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 421.491 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.27 |
LogP (Chemaxon): | 4.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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