Chemical ID: 6009586

Cc1c(sc(n1)NC(=O)CN(CCCOC)C(=O)COc2ccc(cc2)Cl)C
Chemical ID:
6009586
Name [?]:
2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-(4,5-dimethylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)CN(CCCOC)C(=O)COc2ccc(cc2)Cl)C
InChi [?]:
InChI=1/C19H24ClN3O4S/c1-13-14(2)28-19(21-13)22-17(24)11-23(9-4-10-26-3)18(25)12-27-16-7-5-15(20)6-8-16/h5-8H,4,9-12H2,1-3H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,28,16,13,23,25,22,26,12,14,10,19,2,3,24,21,8,17,5,27,6,7,11,9,18,15,20,4/E:(5,6)(7,8)/rA:28nCCCSCNNCOCNCCCOCCOCOCCCCCCClC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s11;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24ClN3O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.28485
Area:686.01
Solvation:-7.8654
Coulombic:-55.5189
Bond Count [?]
All:29
Single:22
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:425.93
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.75
LogP (Chemaxon):1.88

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