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Chemical ID: 6145976
Chemical ID:
6145976
Name [?]:
methyl 2-[2-(2-imino-4-oxo-thiazolidin-5-yl)acetyl]amino-4,5-dimethyl-thiophene-3-carboxylate
SMILES [?]:
Cc1c(sc(c1C(=O)OC)NC(=O)CC2C(=O)NC(=N)S2)C
InChi [?]:
InChI=1/C13H15N3O4S2/c1-5-6(2)21-11(9(5)12(19)20-3)15-8(17)4-7-10(18)16-13(14)22-7/h7H,4H2,1-3H3,(H,15,17)(H2,14,16,18)
InChi Info:
AuxInfo=1/1/N:1,22,10,14,2,3,15,12,6,16,5,7,19,20,11,18,13,17,8,9,4,21/rA:22cCCCSCCCOOCNCOCCCONCNSC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;s5;s11;d12;s12;s14;s15;d16;s16;s18;w19;s15s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15N3O4S2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.90017 |
Area: | 534.269 |
Solvation: | -4.45656 |
Coulombic: | -69.1488 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 341.408 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 0.17 |
LogP (Chemaxon): | 1.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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