Chemical ID: 5940728

CCCNC(=O)c1csc(n1)CN(CCC)C(=O)c2ccc(cc2OC)OC
Chemical ID:
5940728
Name [?]:
2-[[(2,4-dimethoxybenzoyl)-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide
SMILES [?]:
CCCNC(=O)c1csc(n1)CN(CCC)C(=O)c2ccc(cc2OC)OC
InChi [?]:
InChI=1/C20H27N3O4S/c1-5-9-21-19(24)16-13-28-18(22-16)12-23(10-6-2)20(25)15-8-7-14(26-3)11-17(15)27-4/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,16,28,26,2,15,21,20,3,14,23,12,8,22,19,7,24,10,5,17,4,11,13,6,18,27,25,9/rA:28nCCCNCOCCSCNCNCCCCOCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;s7d10;s10;s12;s13;s14;s15;s13;d17;s17;s19;d20;s21;d22;d19s23;s24;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27N3O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.7363
Area:652.721
Solvation:-5.58176
Coulombic:-59.9524
Bond Count [?]
All:29
Single:22
Double:7
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:405.512
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.61
LogP (Chemaxon):1.99

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Descriptor Annotations

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