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Chemical ID: 7080500
Chemical ID:
7080500
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccccc4)CCCOC
InChi [?]:
InChI=1/C22H21NO4/c1-14-9-10-17-16(13-14)20(24)18-19(15-7-4-3-5-8-15)23(11-6-12-26-2)22(25)21(18)27-17/h3-5,7-10,13,19H,6,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,20,19,21,24,18,22,3,4,23,25,7,2,17,6,5,10,16,8,11,13,15,9,14,26,12/E:(4,5)(7,8)/rA:27cCCCCCCCCOCCOCONCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s15;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21NO4 |
All Atoms: | 48 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.91698 |
Area: | 580.607 |
Solvation: | -4.59819 |
Coulombic: | -43.7108 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 363.406 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.02 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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