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Chemical ID: 6263748
Chemical ID:
6263748
Name [?]:
methyl 4-[[4-(4-methoxy-3-methyl-phenyl)thiazol-2-yl]carbamoyl]benzoate
SMILES [?]:
Cc1cc(ccc1OC)c2csc(n2)NC(=O)c3ccc(cc3)C(=O)OC
InChi [?]:
InChI=1/C20H18N2O4S/c1-12-10-15(8-9-17(12)25-2)16-11-27-20(21-16)22-18(23)13-4-6-14(7-5-13)19(24)26-3/h4-11H,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,9,27,19,23,20,22,5,6,3,11,2,18,21,4,10,7,16,24,13,14,15,17,25,8,26,12/E:(4,5)(6,7)/rA:27nCCCCCCCOCCCSCNNCOCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;d24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2O4S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6442 |
Area: | 610.124 |
Solvation: | -4.60891 |
Coulombic: | -54.8582 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 382.434 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.91 |
LogP (Chemaxon): | 4.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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