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Chemical ID: 7143415
Chemical ID:
7143415
Name [?]:
3-[2-(2-ethylphenyl)amino-4-oxo-thiazol-5-ylidene]indolin-2-one
SMILES [?]:
CCc1ccccc1NC2=NC(=O)C(=C3c4ccccc4NC3=O)S2
InChi [?]:
InChI=1/C19H15N3O2S/c1-2-11-7-3-5-9-13(11)21-19-22-18(24)16(25-19)15-12-8-4-6-10-14(12)20-17(15)23/h3-10H,2H2,1H3,(H,20,23)(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,5,18,6,19,4,17,7,20,3,16,8,21,15,14,23,12,10,22,9,11,24,13,25/rA:25nCCCCCCCCNCNCOCCCCCCCCNCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s15s22;d23;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15N3O2S |
All Atoms: | 40 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0191 |
Area: | 533.03 |
Solvation: | -2.30669 |
Coulombic: | -50.787 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 349.407 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.91 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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