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Chemical ID: 5931797
Chemical ID:
5931797
Name [?]:
N-butyl-2-(3,4-dimethoxyphenyl)-3-propanoyl-thiazolidine-4-carboxamide
SMILES [?]:
CCCCNC(=O)C1CSC(N1C(=O)CC)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C19H28N2O4S/c1-5-7-10-20-18(23)14-12-26-19(21(14)17(22)6-2)13-8-9-15(24-3)16(11-13)25-4/h8-9,11,14,19H,5-7,10,12H2,1-4H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,16,26,24,2,15,3,18,19,4,22,9,17,8,20,21,13,6,11,5,12,14,7,25,23,10/rA:26cCCCCNCOCCSCNCOCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s8s11;s12;d13;s13;s15;s11;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H28N2O4S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.07944 |
Area: | 606.195 |
Solvation: | -7.07543 |
Coulombic: | -51.4963 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 380.503 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.51 |
LogP (Chemaxon): | 2.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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