Chemical ID: 6009683

CCOCCCN(CC(=O)Nc1nc(c(s1)C)C)C(=O)COc2ccc(cc2)Cl
Chemical ID:
6009683
Name [?]:
2-[[2-(4-chlorophenoxy)acetyl]-(3-ethoxypropyl)amino]-N-(4,5-dimethylthiazol-2-yl)-acetamide
SMILES [?]:
CCOCCCN(CC(=O)Nc1nc(c(s1)C)C)C(=O)COc2ccc(cc2)Cl
InChi [?]:
InChI=1/C20H26ClN3O4S/c1-4-27-11-5-10-24(12-18(25)23-20-22-14(2)15(3)29-20)19(26)13-28-17-8-6-16(21)7-9-17/h6-9H,4-5,10-13H2,1-3H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,18,17,2,5,25,27,24,28,6,4,8,21,14,15,26,23,9,19,12,29,13,11,7,10,20,3,22,16/E:(6,7)(8,9)/rA:29nCCOCCCNCCONCNCCSCCCOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s14;s7;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26ClN3O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.0963
Area:716.425
Solvation:-7.81428
Coulombic:-55.722
Bond Count [?]
All:30
Single:23
Double:7
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:439.957
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.18
LogP (Chemaxon):2.22

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Descriptor Annotations

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