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Chemical ID: 6787351
Chemical ID:
6787351
Name [?]:
None
SMILES [?]:
CC12CC(c3ccc(cc3O1)OC)C(C(=O)N2)C(=O)c4ccccc4OC
InChi [?]:
InChI=1/C21H21NO5/c1-21-11-15(13-9-8-12(25-2)10-17(13)27-21)18(20(24)22-21)19(23)14-6-4-5-7-16(14)26-3/h4-10,15,18H,11H2,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,13,27,22,23,21,24,7,6,9,3,8,5,20,4,25,10,14,18,15,2,17,19,16,12,26,11/rA:27cCCCCCCCCCCOOCCCONCOCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s8;s12;s4;s14;d15;s2s15;s14;d18;s18;s20;d21;s22;d23;d20s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21NO5 |
All Atoms: | 48 |
Heavy Atoms: | 27 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 5.99543 |
Area: | 539.828 |
Solvation: | -7.50028 |
Coulombic: | -48.0974 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 367.395 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.66 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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