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Chemical ID: 5708413
Chemical ID:
5708413
Name [?]:
None
SMILES [?]:
CC1CCCC(N1C(=O)COC(=O)c2ccc3c(c2)nc4n(c3=O)CCCCC4)C
InChi [?]:
InChI=1/C23H29N3O4/c1-15-7-6-8-16(2)26(15)21(27)14-30-23(29)17-10-11-18-19(13-17)24-20-9-4-3-5-12-25(20)22(18)28/h10-11,13,15-16H,3-9,12,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,27,28,26,4,3,5,29,15,16,25,19,10,2,6,14,17,18,21,8,23,12,20,22,7,9,24,13,11/E:(1,2)(7,8)(15,16)/rA:30cCCCCCCNCOCOCOCCCCCCNCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;d20;s21;s17s22;d23;s22;s25;s26;s27;s21s28;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29N3O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.8299 |
Area: | 614.156 |
Solvation: | -3.52404 |
Coulombic: | -58.2118 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 411.494 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.8 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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