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Chemical ID: 3961963
Chemical ID:
3961963
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1C)NC(=O)CN2c3ccccc3C(=O)N4CCCC4C2=O
InChi [?]:
InChI=1/C22H23N3O3/c1-14-9-10-16(12-15(14)2)23-20(26)13-25-18-7-4-3-6-17(18)21(27)24-11-5-8-19(24)22(25)28/h3-4,6-7,9-10,12,19H,5,8,11,13H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,8,17,16,24,18,15,25,3,4,23,6,12,2,7,5,19,14,26,10,20,27,9,22,13,11,21,28/rA:28cCCCCCCCCNCOCNCCCCCCCONCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;s23;s24;s22s25;s13s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23N3O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4732 |
Area: | 570.826 |
Solvation: | -3.79743 |
Coulombic: | -54.8198 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 377.436 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.65 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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