Chemical ID: 4571504

CCN(CC)CCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2CCc5ccccc5
Chemical ID:
4571504
Name [?]:
None
SMILES [?]:
CCN(CC)CCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2CCc5ccccc5
InChi [?]:
InChI=1/C29H36N4O2/c1-3-31(4-2)17-10-18-32-20-27(34)33-25(16-15-21-11-6-5-7-12-21)28-23(19-26(33)29(32)35)22-13-8-9-14-24(22)30-28/h5-9,11-14,25-26,30H,3-4,10,15-20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,33,32,34,21,22,7,31,35,20,23,29,28,6,8,17,10,30,19,18,24,27,14,11,26,15,25,3,9,13,12,16/E:(1,2)(3,4)(6,7)(11,12)/rA:35cCCNCCCCCNCCONCCOCCCCCCCCNCCCCCCCCCC/rB:s1;s2;s3;s4;s3;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:C29H36N4O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:2
ZAP Information [?]
Total:14.3848
Area:716.735
Solvation:-3.53357
Coulombic:-51.9069
Bond Count [?]
All:39
Single:30
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:472.622
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.75
LogP (Chemaxon):3.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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