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Chemical ID: 4801384
Chemical ID:
4801384
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2C
InChi [?]:
InChI=1/C22H21NO5/c1-4-11-27-16-10-9-13(12-17(16)26-3)19-18-20(24)14-7-5-6-8-15(14)28-21(18)22(25)23(19)2/h5-10,12,19H,4,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,12,2,19,20,18,21,7,6,3,9,8,17,22,5,10,14,13,15,24,25,27,16,26,11,4,23/rA:28cCCCOCCCCCCOCCCCOCCCCCCOCCONC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s13s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21NO5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.3114 |
Area: | 584.265 |
Solvation: | -6.29521 |
Coulombic: | -49.3403 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 379.406 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.76 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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