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Chemical ID: 7080549
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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