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Chemical ID: 6007212
Chemical ID:
6007212
Name [?]:
N-(3-ethoxypropyl)-2-methoxy-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCOCCCN(CC(=O)Nc1nc(cs1)C)C(=O)c2ccccc2OC
InChi [?]:
InChI=1/C19H25N3O4S/c1-4-26-11-7-10-22(12-17(23)21-19-20-14(2)13-27-19)18(24)15-8-5-6-9-16(15)25-3/h5-6,8-9,13H,4,7,10-12H2,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,17,27,2,22,23,5,21,24,6,4,8,15,14,20,25,9,18,12,13,11,7,10,19,26,3,16/rA:27nCCOCCCNCCONCNCCSCCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s7;d18;s18;s20;d21;s22;d23;d20s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N3O4S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.15695 |
Area: | 630.964 |
Solvation: | -7.61715 |
Coulombic: | -56.0405 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 391.486 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.94 |
LogP (Chemaxon): | 1.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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