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Chemical ID: 4571504
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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