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Chemical ID: 4577264
Chemical ID:
4577264
Name [?]:
None
SMILES [?]:
Cc1ccccc1C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)CCCN6CCOCC6
InChi [?]:
InChI=1/C28H32N4O3/c1-19-7-2-3-8-20(19)27-26-22(21-9-4-5-10-23(21)29-26)17-24-28(34)31(18-25(33)32(24)27)12-6-11-30-13-15-35-16-14-30/h2-5,7-10,24,27,29H,6,11-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,13,14,28,3,6,12,15,29,27,31,35,32,34,18,23,2,7,11,10,16,19,21,9,8,25,17,30,24,20,22,26,33/E:(13,14)(15,16)/rA:35cCCCCCCCCCCCCCCCCNCCNCOCNCOCCCNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s10;s18;s8s19;s20;d21;s21;s23;s19s24;d25;s24;s27;s28;s29;s30;s31;s32;s33;s30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H32N4O3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.7708 |
Area: | 686.484 |
Solvation: | -5.39134 |
Coulombic: | -58.3206 |
Bond Count [?]
All: | 40 |
Single: | 31 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 472.579 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.19 |
LogP (Chemaxon): | 2.46 |
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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