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Chemical ID: 7080448
Chemical ID:
7080448
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
InChi [?]:
InChI=1/C22H21NO4/c1-14-8-10-15(11-9-14)19-18-20(24)16-6-3-4-7-17(16)27-21(18)22(25)23(19)12-5-13-26-2/h3-4,6-11,19H,5,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,14,15,24,13,16,3,7,4,6,23,25,2,5,12,17,9,8,10,19,20,22,11,21,26,18/E:(8,9)(10,11)/rA:27cCCCCCCCCCCOCCCCCCOCCONCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;d20;s8s20;s22;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21NO4 |
All Atoms: | 48 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.95473 |
Area: | 581.284 |
Solvation: | -4.57737 |
Coulombic: | -43.6766 |
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: | 3.03 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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