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Chemical ID: 6007201
Chemical ID:
6007201
Name [?]:
N-(3-ethoxypropyl)-4-ethyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CCCOCC)CC(=O)Nc2nc(cs2)C
InChi [?]:
InChI=1/C20H27N3O3S/c1-4-16-7-9-17(10-8-16)19(25)23(11-6-12-26-5-2)13-18(24)22-20-21-15(3)14-27-20/h7-10,14H,4-6,11-13H2,1-3H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,17,27,2,16,13,4,8,5,7,12,14,18,25,24,3,6,19,9,22,23,21,11,20,10,15,26/E:(7,8)(9,10)/rA:27nCCCCCCCCCONCCCOCCCCONCNCCSC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s15;s16;s11;s18;d19;s19;s21;d22;s23;d24;s22s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H27N3O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9518 |
Area: | 645.742 |
Solvation: | -5.19173 |
Coulombic: | -51.0061 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 389.513 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.92 |
LogP (Chemaxon): | 2.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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