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Chemical ID: 6001361
Chemical ID:
6001361
Name [?]:
N-butyl-2,4-dimethoxy-N-[(5-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCCCN(CC(=O)Nc1ncc(s1)C)C(=O)c2ccc(cc2OC)OC
InChi [?]:
InChI=1/C19H25N3O4S/c1-5-6-9-22(12-17(23)21-19-20-11-13(2)27-19)18(24)15-8-7-14(25-3)10-16(15)26-4/h7-8,10-11H,5-6,9,12H2,1-4H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,15,27,25,2,3,20,19,4,22,12,6,13,21,18,23,7,16,10,11,9,5,8,17,26,24,14/rA:27nCCCCNCCONCNCCSCCOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s13;s5;d16;s16;s18;d19;s20;d21;d18s22;s23;s24;s21;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N3O4S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.84713 |
Area: | 626.67 |
Solvation: | -7.81961 |
Coulombic: | -54.4935 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 391.486 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.91 |
LogP (Chemaxon): | 2.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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