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Chemical ID: 7532593
Chemical ID:
7532593
Name [?]:
ethyl 2-amino-4-methyl-5-(1-phenylethylcarbamoyl)thiophene-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(c(sc1N)C(=O)NC(C)c2ccccc2)C
InChi [?]:
InChI=1/C17H20N2O3S/c1-4-22-17(21)13-10(2)14(23-15(13)18)16(20)19-11(3)12-8-6-5-7-9-12/h5-9,11H,4,18H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,23,16,2,20,19,21,18,22,7,15,17,6,8,10,12,4,11,14,13,5,3,9/E:(6,7)(8,9)/rA:23cCCOCOCCCSCNCONCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s8;d12;s12;s14;s15;s15;s17;d18;s19;d20;d17s21;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O3S |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.3972 |
Area: | 554.481 |
Solvation: | -2.46486 |
Coulombic: | -59.9219 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.71 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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