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Chemical ID: 7348736
Chemical ID:
7348736
Name [?]:
None
SMILES [?]:
CCC(C)NC(=O)C1Cc2c3ccccc3[nH]c2C4N1C(=O)c5c4cccc5
InChi [?]:
InChI=1/C23H23N3O2/c1-3-13(2)24-22(27)19-12-17-14-8-6-7-11-18(14)25-20(17)21-15-9-4-5-10-16(15)23(28)26(19)21/h4-11,13,19,21,25H,3,12H2,1-2H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,4,2,26,27,13,14,12,25,28,15,9,3,11,24,23,10,16,8,18,19,6,21,5,17,20,7,22/rA:28cCCCCNCOCCCCCCCCCNCCNCOCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;d10s17;s18;s8s19;s20;d21;s21;s19s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23N3O2 |
All Atoms: | 51 |
Heavy Atoms: | 28 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.0052 |
Area: | 564.775 |
Solvation: | -3.11422 |
Coulombic: | -51.8304 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 373.448 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.28 |
LogP (Chemaxon): | 3.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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