Chemical ID: 5931797

CCCCNC(=O)C1CSC(N1C(=O)CC)c2ccc(c(c2)OC)OC
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

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Descriptor Annotations

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