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Chemical ID: 6001102
Chemical ID:
6001102
Name [?]:
N-butyl-3-methoxy-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CCCCN(CC(=O)Nc1nccs1)C(=O)c2cccc(c2)OC
InChi [?]:
InChI=1/C17H21N3O3S/c1-3-4-9-20(12-15(21)19-17-18-8-10-24-17)16(22)13-6-5-7-14(11-13)23-2/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,24,2,3,19,18,20,12,4,13,22,6,17,21,7,15,10,11,9,5,8,16,23,14/rA:24nCCCCNCCONCNCCSCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s5;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21N3O3S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.7422 |
Area: | 568.95 |
Solvation: | -5.48155 |
Coulombic: | -49.3916 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 347.433 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.14 |
LogP (Chemaxon): | 2.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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