Chemical ID: 4801384

CCCOc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2C
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

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Experimental Annotations

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Descriptor Annotations

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