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Chemical ID: 7354398
Chemical ID:
7354398
Name [?]:
None
SMILES [?]:
CC(C)CCNC(=O)C(C(C)C)NC(=O)C1Cc2c3ccccc3[nH]c2C4N1C(=O)c5c4cccc5
InChi [?]:
InChI=1/C29H34N4O3/c1-16(2)13-14-30-28(35)24(17(3)4)32-27(34)23-15-21-18-9-7-8-12-22(18)31-25(21)26-19-10-5-6-11-20(19)29(36)33(23)26/h5-12,16-17,23-24,26,31H,13-15H2,1-4H3,(H,30,35)(H,32,34)
InChi Info:
AuxInfo=1/1/N:1,3,11,12,34,35,21,22,20,33,36,23,4,5,17,2,10,19,32,31,18,24,16,9,26,27,14,7,29,6,25,13,28,15,8,30/E:(1,2)(3,4)/rA:36cCCCCCNCOCCCCNCOCCCCCCCCCNCCNCOCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s10;s9;s13;d14;s14;s16;s17;s18;s19;d20;s21;d22;d19s23;s24;d18s25;s26;s16s27;s28;d29;s29;s27s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H34N4O3 |
All Atoms: | 70 |
Heavy Atoms: | 36 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 14.6215 |
Area: | 734.739 |
Solvation: | -3.74699 |
Coulombic: | -74.4085 |
Bond Count [?]
All: | 40 |
Single: | 30 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 486.605 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.25 |
LogP (Chemaxon): | 3.9 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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