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Chemical ID: 6009683
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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