Chemical ID: 7080549

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)C(C)C)CCCOC
Chemical ID:
7080549
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)C(C)C)CCCOC
InChi [?]:
InChI=1/C25H27NO4/c1-15(2)17-7-9-18(10-8-17)22-21-23(27)19-14-16(3)6-11-20(19)30-24(21)25(28)26(22)12-5-13-29-4/h6-11,14-15,22H,5,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:24,25,1,30,27,3,19,21,18,22,4,26,28,7,23,2,20,17,6,5,10,16,8,11,13,15,9,14,29,12/E:(1,2)(7,8)(9,10)/rA:30cCCCCCCCCOCCOCONCCCCCCCCCCCCCOC/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;s15;s26;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27NO4
All Atoms:57
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.5797
Area:647.817
Solvation:-4.61572
Coulombic:-44.104
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:405.486
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.43
LogP (Chemaxon):4.2

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Descriptor Annotations

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