Chemical ID: 5849468

CCCC(=O)N1c2ccccc2NC3=C(C1c4c(cccc4Cl)Cl)C(=O)CCC3
Chemical ID:
5849468
Name [?]:
None
SMILES [?]:
CCCC(=O)N1c2ccccc2NC3=C(C1c4c(cccc4Cl)Cl)C(=O)CCC3
InChi [?]:
InChI=1/C23H22Cl2N2O2/c1-2-7-20(29)27-18-12-4-3-10-16(18)26-17-11-6-13-19(28)22(17)23(27)21-14(24)8-5-9-15(21)25/h3-5,8-10,12,23,26H,2,6-7,11,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,9,20,28,3,19,21,11,29,8,27,18,22,12,14,7,25,4,17,15,16,24,23,13,6,26,5/E:(8,9)(14,15)(24,25)/rA:29cCCCCONCCCCCCNCCCCCCCCCClClCOCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s13;d14;s6s15;s16;s17;d18;s19;d20;d17s21;s22;s18;s15;d25;s25;s27;s14s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22Cl2N2O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.1675
Area:557.314
Solvation:-2.76532
Coulombic:-36.6478
Bond Count [?]
All:32
Single:23
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:429.338
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.78
LogP (Chemaxon):4.52

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Descriptor Annotations

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