Chemical ID: 4794997

CCCc1cc(=O)oc2c1cc(c3c2CN(CO3)Cc4ccccc4OC)Cl
Chemical ID:
4794997
Name [?]:
None
SMILES [?]:
CCCc1cc(=O)oc2c1cc(c3c2CN(CO3)Cc4ccccc4OC)Cl
InChi [?]:
InChI=1/C22H22ClNO4/c1-3-6-14-9-20(25)28-21-16(14)10-18(23)22-17(21)12-24(13-27-22)11-15-7-4-5-8-19(15)26-2/h4-5,7-10H,3,6,11-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,2,22,23,3,21,24,5,11,19,15,17,4,20,10,14,12,25,6,9,13,28,16,7,26,18,8/rA:28cCCCCCCOOCCCCCCCNCOCCCCCCCOCCl/rB:s1;s2;s3;d4;s5;d6;s6;s8;s4s9;d10;s11;d12;d9s13;s14;s15;s16;s13s17;s16;s19;s20;d21;s22;d23;d20s24;s25;s26;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22ClNO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.7086
Area:604.456
Solvation:-5.40279
Coulombic:-39.3261
Bond Count [?]
All:31
Single:23
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:399.867
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.0
LogP (Chemaxon):5.24

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Descriptor Annotations

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