Chemical ID: 4571040

CCCCCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2c5ccccc5
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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