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Chemical ID: 4569367
Chemical ID:
4569367
Name [?]:
None
SMILES [?]:
COCCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2CCc5ccccc5
InChi [?]:
InChI=1/C26H29N3O3/c1-32-15-7-14-28-17-24(30)29-22(13-12-18-8-3-2-4-9-18)25-20(16-23(29)26(28)31)19-10-5-6-11-21(19)27-25/h2-6,8-11,22-23,27H,7,12-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,30,29,31,18,19,4,28,32,17,20,26,25,5,3,14,7,27,16,15,21,24,11,8,23,12,22,6,10,9,13,2/E:(3,4)(8,9)/rA:32cCOCCCNCCONCCOCCCCCCCCNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s6s11;d12;s11;s14;s15;s16;d17;s18;d19;d16s20;s21;d15s22;s10s23;s24;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29N3O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.5601 |
Area: | 648.271 |
Solvation: | -4.64663 |
Coulombic: | -54.2303 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 431.527 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.86 |
LogP (Chemaxon): | 2.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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