Chemical ID: 7189570

Cc1c(c(c(s1)N)C(=O)OC(C)C)c2ccc(cc2)Cl
Chemical ID:
7189570
Name [?]:
isopropyl 2-amino-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylate
SMILES [?]:
Cc1c(c(c(s1)N)C(=O)OC(C)C)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H16ClNO2S/c1-8(2)19-15(18)13-12(9(3)20-14(13)17)10-4-6-11(16)7-5-10/h4-8H,17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:12,13,1,15,19,16,18,11,2,14,17,3,4,5,8,20,7,9,10,6/E:(1,2)(4,5)(6,7)/rA:20nCCCCCSNCOOCCCCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s11;s3;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16ClNO2S
All Atoms:36
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.6671
Area:488.966
Solvation:-1.55702
Coulombic:-38.8318
Bond Count [?]
All:21
Single:15
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:309.812
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.13
LogP (Chemaxon):4.01

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Descriptor Annotations

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