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Chemical ID: 7349439
Chemical ID:
7349439
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CNC(=O)C2Cc3c4ccccc4[nH]c3C5N2C(=O)c6c5cccc6
InChi [?]:
InChI=1/C26H21N3O2/c30-25(27-15-16-8-2-1-3-9-16)22-14-20-17-10-6-7-13-21(17)28-23(20)24-18-11-4-5-12-19(18)26(31)29(22)24/h1-13,22,24,28H,14-15H2,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,2,6,29,30,16,17,3,5,15,28,31,18,12,7,4,14,27,26,13,19,11,21,22,9,24,8,20,23,10,25/E:(2,3)(8,9)/rA:31cCCCCCCCNCOCCCCCCCCCNCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;d13s20;s21;s11s22;s23;d24;s24;s22s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H21N3O2 |
All Atoms: | 52 |
Heavy Atoms: | 31 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.0438 |
Area: | 617.464 |
Solvation: | -3.39276 |
Coulombic: | -53.17 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 407.464 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.74 |
LogP (Chemaxon): | 3.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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