Chemical ID: 4590680

c1ccc2c(c1)C(=NNC(=O)CCCOc3ccc(cc3Cl)Cl)C(=O)N2
Chemical ID:
4590680
Name [?]:
4-(2,4-dichlorophenoxy)-N-(2-oxoindolin-3-ylidene)amino-butanamide
SMILES [?]:
c1ccc2c(c1)C(=NNC(=O)CCCOc3ccc(cc3Cl)Cl)C(=O)N2
InChi [?]:
InChI=1/C18H15Cl2N3O3/c19-11-7-8-15(13(20)10-11)26-9-3-6-16(24)22-23-17-12-4-1-2-5-14(12)21-18(17)25/h1-2,4-5,7-8,10H,3,6,9H2,(H,22,24)(H,21,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,13,6,3,12,18,17,14,20,19,5,21,4,16,10,7,24,23,22,26,9,8,11,25,15/rA:26nCCCCCCCNNCOCCCOCCCCCCClClCON/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;s19;s7;d24;s4s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15Cl2N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.36501
Area:625.275
Solvation:-6.26688
Coulombic:-47.2319
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:392.236
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.3
LogP (Chemaxon):3.88

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