Chemical ID: 5708413

CC1CCCC(N1C(=O)COC(=O)c2ccc3c(c2)nc4n(c3=O)CCCCC4)C
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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