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Chemical ID: 6009586
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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