Chemical ID: 4445049

CCc1ccc(cc1)OC(=O)CCN2C(=O)C3C4c5ccccc5C(C3C2=O)c6c4cccc6
Chemical ID:
4445049
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)OC(=O)CCN2C(=O)C3C4c5ccccc5C(C3C2=O)c6c4cccc6
InChi [?]:
InChI=1/C29H25NO4/c1-2-17-11-13-18(14-12-17)34-23(31)15-16-30-28(32)26-24-19-7-3-4-8-20(19)25(27(26)29(30)33)22-10-6-5-9-21(22)24/h3-14,24-27H,2,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,21,22,32,33,20,23,31,34,4,8,5,7,12,13,3,6,19,24,30,29,10,18,25,17,26,15,27,14,11,16,28,9/E:(3,4,5,6)(7,8,9,10)(11,12)(13,14)(19,20,21,22)(24,25)(26,27)(28,29)(32,33)/rA:34cCCCCCCCCOCOCCNCOCCCCCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;s17s25;s14s26;d27;s25;s18s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H25NO4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:2
ZAP Information [?]
Total:12.7279
Area:671.515
Solvation:-4.05997
Coulombic:-44.4893
Bond Count [?]
All:39
Single:27
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:451.513
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.91
LogP (Chemaxon):4.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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