Chemical ID: 7143422

CN1c2ccccc2C(=C3C(=O)N=C(S3)Nc4ccc(cc4OC)OC)C1=O
Chemical ID:
7143422
Name [?]:
3-[2-(2,4-dimethoxyphenyl)amino-4-oxo-thiazol-5-ylidene]-1-methyl-indolin-2-one
SMILES [?]:
CN1c2ccccc2C(=C3C(=O)N=C(S3)Nc4ccc(cc4OC)OC)C1=O
InChi [?]:
InChI=1/C20H17N3O4S/c1-23-14-7-5-4-6-12(14)16(19(23)25)17-18(24)22-20(28-17)21-13-9-8-11(26-2)10-15(13)27-3/h4-10H,1-3H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,26,24,6,5,7,4,19,18,21,20,8,17,3,22,9,10,11,27,14,16,13,2,12,28,25,23,15/rA:28nCNCCCCCCCCCONCSNCCCCCCOCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;d13;s10s14;s14;s16;s17;d18;s19;d20;d17s21;s22;s23;s20;s25;s2s9;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17N3O4S
All Atoms:45
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.1898
Area:590.214
Solvation:-4.56554
Coulombic:-59.6153
Bond Count [?]
All:31
Single:21
Double:10
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:395.433
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.19
LogP (Chemaxon):2.35

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