Chemical ID: 6119720

CCCNC(=O)N(c1nc(cs1)C(=O)OCC)NC(=O)c2ccccc2
Chemical ID:
6119720
Name [?]:
ethyl 2-(benzamido-(propylcarbamoyl)amino)thiazole-4-carboxylate
SMILES [?]:
CCCNC(=O)N(c1nc(cs1)C(=O)OCC)NC(=O)c2ccccc2
InChi [?]:
InChI=1/C17H20N4O4S/c1-3-10-18-16(24)21(20-14(22)12-8-6-5-7-9-12)17-19-13(11-26-17)15(23)25-4-2/h5-9,11H,3-4,10H2,1-2H3,(H,18,24)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,17,2,16,24,23,25,22,26,3,11,21,10,19,13,5,8,4,9,18,7,20,14,6,15,12/E:(6,7)(8,9)/rA:26nCCCNCONCNCCSCOOCCNCOCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s10;d13;s13;s15;s16;s7;s18;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N4O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.6038
Area:616.991
Solvation:-3.82101
Coulombic:-74.2357
Bond Count [?]
All:27
Single:19
Double:8
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:376.431
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.44
LogP (Chemaxon):2.58

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Descriptor Annotations

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