Chemical ID: 7080507

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)Cl)Cl)CCCOC
Chemical ID:
7080507
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)Cl)Cl)CCCOC
InChi [?]:
InChI=1/C22H19Cl2NO4/c1-12-4-7-17-14(10-12)20(26)18-19(13-5-6-15(23)16(24)11-13)25(8-3-9-28-2)22(27)21(18)29-17/h4-7,10-11,19H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,26,3,18,19,4,25,27,7,22,2,17,6,20,21,5,10,16,8,11,13,24,23,15,9,14,28,12/rA:29cCCCCCCCCOCCOCONCCCCCCCClClCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s20;s15;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19Cl2NO4
All Atoms:48
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.3031
Area:643.264
Solvation:-4.77851
Coulombic:-43.6832
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:432.296
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.27
LogP (Chemaxon):4.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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