Chemical ID: 7021982

CCCCN1c2ccc(cc2C(=NNC(=O)COc3ccc(cc3Cl)Cl)C1=O)OC
Chemical ID:
7021982
Name [?]:
N-(1-butyl-5-methoxy-2-oxo-indolin-3-ylidene)amino-2-(2,4-dichlorophenoxy)-acetamide
SMILES [?]:
CCCCN1c2ccc(cc2C(=NNC(=O)COc3ccc(cc3Cl)Cl)C1=O)OC
InChi [?]:
InChI=1/C21H21Cl2N3O4/c1-3-4-9-26-17-7-6-14(29-2)11-15(17)20(21(26)28)25-24-19(27)12-30-18-8-5-13(22)10-16(18)23/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,30,2,3,21,8,7,20,4,23,10,17,22,9,11,24,6,19,15,12,27,26,25,14,13,5,16,28,29,18/rA:30nCCCCNCCCCCCCNNCOCOCCCCCCClClCOOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;w12;s13;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;s22;s5s12;d27;s9;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21Cl2N3O4
All Atoms:51
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.7705
Area:700.729
Solvation:-6.74773
Coulombic:-51.8161
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:450.315
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.19
LogP (Chemaxon):4.17

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Descriptor Annotations

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