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Chemical ID: 4708879
Chemical ID:
4708879
Name [?]:
methyl 2-(4-chlorophenyl)-3-(4-methylbenzoyl)-thiazolidine-4-carboxylate
SMILES [?]:
Cc1ccc(cc1)C(=O)N2C(CSC2c3ccc(cc3)Cl)C(=O)OC
InChi [?]:
InChI=1/C19H18ClNO3S/c1-12-3-5-13(6-4-12)17(22)21-16(19(23)24-2)11-25-18(21)14-7-9-15(20)10-8-14/h3-10,16,18H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,3,7,4,6,16,20,17,19,12,2,5,15,18,11,8,14,22,21,10,9,23,24,13/E:(3,4)(5,6)(7,8)(9,10)/rA:25cCCCCCCCCONCCSCCCCCCCClCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s10s13;s14;s15;d16;s17;d18;d15s19;s18;s11;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18ClNO3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.6375 |
Area: | 551.349 |
Solvation: | -3.1462 |
Coulombic: | -40.2924 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 375.87 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.65 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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