Chemical ID: 7080513

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)C(C)(C)C)CCCOC
Chemical ID:
7080513
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)C(C)(C)C)CCCOC
InChi [?]:
InChI=1/C26H29NO4/c1-16-7-12-20-19(15-16)23(28)21-22(17-8-10-18(11-9-17)26(2,3)4)27(13-6-14-30-5)25(29)24(21)31-20/h7-12,15,22H,6,13-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,24,25,26,31,28,3,18,22,19,21,4,27,29,7,2,17,20,6,5,10,16,8,11,13,23,15,9,14,30,12/E:(2,3,4)(8,9)(10,11)/rA:31cCCCCCCCCOCCOCONCCCCCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s23;s23;s15;s27;s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29NO4
All Atoms:60
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.957
Area:662.726
Solvation:-4.61114
Coulombic:-44.3363
Bond Count [?]
All:34
Single:25
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:419.513
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.84
LogP (Chemaxon):4.64

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Descriptor Annotations

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