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Chemical ID: 3855986
Chemical ID:
3855986
Name [?]:
N-isobutyl-N-[4-(4-methoxyphenyl)thiazol-2-yl]-propanamide
SMILES [?]:
CCC(=O)N(CC(C)C)c1nc(cs1)c2ccc(cc2)OC
InChi [?]:
InChI=1/C17H22N2O2S/c1-5-16(20)19(10-12(2)3)17-18-15(11-22-17)13-6-8-14(21-4)9-7-13/h6-9,11-12H,5,10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,9,22,2,16,20,17,19,6,13,7,15,18,12,3,10,11,5,4,21,14/E:(2,3)(6,7)(8,9)/rA:22nCCCONCCCCCNCCSCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s5;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.84583 |
Area: | 521.658 |
Solvation: | -3.19561 |
Coulombic: | -30.5996 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 318.435 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.5 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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