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Chemical ID: 6033744
Chemical ID:
6033744
Name [?]:
4-chloro-N-(2-methoxyethyl)-N-[[4-(propylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
CCCNC(=O)Cc1csc(n1)NC(=O)CN(CCOC)C(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C20H25ClN4O4S/c1-3-8-22-17(26)11-16-13-30-20(23-16)24-18(27)12-25(9-10-29-2)19(28)14-4-6-15(21)7-5-14/h4-7,13H,3,8-12H2,1-2H3,(H,22,26)(H,23,24,27)
InChi Info:
AuxInfo=1/1/N:1,21,2,25,29,26,28,3,18,19,7,16,9,24,27,8,5,14,22,11,30,4,12,13,17,6,15,23,20,10/E:(4,5)(6,7)/rA:30nCCCNCOCCCSCNNCOCNCCOCCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;s19;s20;s17;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25ClN4O4S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.88676 |
Area: | 702.239 |
Solvation: | -7.66921 |
Coulombic: | -68.8509 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 452.956 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 1.63 |
LogP (Chemaxon): | 2.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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