Chemical ID: 5293500

CC(C)c1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC(C)C
Chemical ID:
5293500
Name [?]:
None
SMILES [?]:
CC(C)c1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC(C)C
InChi [?]:
InChI=1/C26H29NO4/c1-16(2)18-10-12-19(13-11-18)23-22-24(28)20-8-5-6-9-21(20)31-25(22)26(29)27(23)14-7-15-30-17(3)4/h5-6,8-13,16-17,23H,7,14-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,30,31,16,17,26,15,18,5,9,6,8,25,27,2,29,4,7,14,19,11,10,12,21,22,24,13,23,28,20/E:(1,2)(3,4)(10,11)(12,13)/rA:31cCCCCCCCCCCCCOCCCCCCOCCONCCCOCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;s25;s26;s27;s28;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29NO4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.4635
Area:675.616
Solvation:-4.42686
Coulombic:-44.6512
Bond Count [?]
All:34
Single:25
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:419.513
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.88
LogP (Chemaxon):4.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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