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Chemical ID: 6365409
Chemical ID:
6365409
Name [?]:
methyl 4-methyl-2-norbornan-2-ylcarbonylamino-thiazole-5-carboxylate
SMILES [?]:
Cc1c(sc(n1)NC(=O)C2CC3CCC2C3)C(=O)OC
InChi [?]:
InChI=1/C14H18N2O3S/c1-7-11(13(18)19-2)20-14(15-7)16-12(17)10-6-8-3-4-9(10)5-8/h8-10H,3-6H2,1-2H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,20,13,14,16,11,2,12,15,10,3,8,17,5,6,7,9,18,19,4/rA:20cCCCSCNNCOCCCCCCCCOOC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s10s14;s12s15;s3;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2O3S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.03146 |
Area: | 465.264 |
Solvation: | -2.60015 |
Coulombic: | -45.3102 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 294.37 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.94 |
LogP (Chemaxon): | 1.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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