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Chemical ID: 4571040
Chemical ID:
4571040
Name [?]:
None
SMILES [?]:
CCCCCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2c5ccccc5
InChi [?]:
InChI=1/C26H29N3O2/c1-2-3-4-10-15-28-17-23(30)29-22(26(28)31)16-20-19-13-8-9-14-21(19)27-24(20)25(29)18-11-6-5-7-12-18/h5-9,11-14,22,25,27H,2-4,10,15-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,29,28,30,19,20,5,27,31,18,21,6,15,8,26,17,16,22,12,9,24,25,13,23,7,11,10,14/E:(6,7)(11,12)/rA:31cCCCCCCNCCONCCOCCCCCCCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s7s12;d13;s12;s15;s16;s17;d18;s19;d20;d17s21;s22;d16s23;s11s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29N3O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.6969 |
Area: | 634.618 |
Solvation: | -3.16855 |
Coulombic: | -47.5492 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 415.527 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.43 |
LogP (Chemaxon): | 4.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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