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Chemical ID: 7142669
Chemical ID:
7142669
Name [?]:
2-[3-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-ylidene)-2-oxo-indolin-1-yl]acetic acid
SMILES [?]:
CCN=C1N(C(=O)C(=C2c3ccccc3N(C2=O)CC(=O)O)S1)CC
InChi [?]:
InChI=1/C17H17N3O4S/c1-3-18-17-19(4-2)16(24)14(25-17)13-10-7-5-6-8-11(10)20(15(13)23)9-12(21)22/h5-8H,3-4,9H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,2,24,12,13,11,14,19,10,15,20,9,8,17,6,4,3,5,16,21,22,18,7,23/E:(21,22)/rA:25nCCNCNCOCCCCCCCCNCOCCOOSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s15;s9s16;d17;s16;s19;d20;s20;s4s8;s5;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N3O4S |
All Atoms: | 42 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0439 |
Area: | 546.296 |
Solvation: | -3.61351 |
Coulombic: | -66.6105 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.02 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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