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Chemical ID: 4568854
Chemical ID:
4568854
Name [?]:
None
SMILES [?]:
CC(C)c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)CCCN6CCOCC6
InChi [?]:
InChI=1/C30H36N4O3/c1-20(2)21-8-10-22(11-9-21)29-28-24(23-6-3-4-7-25(23)31-28)18-26-30(36)33(19-27(35)34(26)29)13-5-12-32-14-16-37-17-15-32/h3-4,6-11,20,26,29,31H,5,12-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,15,16,30,14,17,5,9,6,8,31,29,33,37,34,36,20,25,2,4,7,13,12,18,21,23,11,10,27,19,32,26,22,24,28,35/E:(1,2)(8,9)(10,11)(14,15)(16,17)/rA:37cCCCCCCCCCCCCCCCCCCNCCNCOCNCOCCCNCCOCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s12;s20;s10s21;s22;d23;s23;s25;s21s26;d27;s26;s29;s30;s31;s32;s33;s34;s35;s32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H36N4O3 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.9849 |
Area: | 735.792 |
Solvation: | -5.40995 |
Coulombic: | -58.9092 |
Bond Count [?]
All: | 42 |
Single: | 33 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 500.632 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.16 |
LogP (Chemaxon): | 3.19 |
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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