Chemical ID: 4580197

CCCCOCCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2CCc5ccccc5
Chemical ID:
4580197
Name [?]:
None
SMILES [?]:
CCCCOCCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2CCc5ccccc5
InChi [?]:
InChI=1/C29H35N3O3/c1-2-3-17-35-18-9-16-31-20-27(33)32-25(15-14-21-10-5-4-6-11-21)28-23(19-26(32)29(31)34)22-12-7-8-13-24(22)30-28/h4-8,10-13,25-26,30H,2-3,9,14-20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,33,32,34,21,22,7,31,35,20,23,29,28,8,4,6,17,10,30,19,18,24,27,14,11,26,15,25,9,13,12,16,5/E:(5,6)(10,11)/rA:35cCCCCOCCCNCCONCCOCCCCCCCCNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;s13;s9s14;d15;s14;s17;s18;s19;d20;s21;d22;d19s23;s24;d18s25;s13s26;s27;s28;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H35N3O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:2
ZAP Information [?]
Total:13.6097
Area:725.393
Solvation:-4.52516
Coulombic:-55.2244
Bond Count [?]
All:39
Single:30
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:473.607
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.22
LogP (Chemaxon):4.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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