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Chemical ID: 5921121
Chemical ID:
5921121
Name [?]:
N-(3-ethoxypropyl)-N-[[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-4-methoxy-benzamide
SMILES [?]:
CCOCCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C28H33FN2O4S/c1-4-35-17-5-16-30(28(33)23-9-13-25(34-3)14-10-23)20-27(32)31(19-26-15-6-21(2)36-26)18-22-7-11-24(29)12-8-22/h6-15H,4-5,16-20H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,36,2,5,23,14,18,30,34,15,17,31,33,22,6,4,12,20,8,24,13,29,16,32,21,9,27,19,7,11,10,28,35,3,25/E:(7,8)(9,10)(11,12)(13,14)/rA:36nCCOCCCNCCONCCCCCCCFCCCCCSCCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s11;s20;d21;s22;d23;s21s24;s24;s7;d27;s27;s29;d30;s31;d32;d29s33;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H33FN2O4S |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5549 |
Area: | 748.494 |
Solvation: | -7.15743 |
Coulombic: | -54.2357 |
Bond Count [?]
All: | 38 |
Single: | 28 |
Double: | 10 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 512.637 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.88 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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