Chemical ID: 5921019

CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C)C(=O)c3ccc(cc3)OC
Chemical ID:
5921019
Name [?]:
N-[[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-4-methoxy-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C26H29FN2O3S/c1-4-15-28(26(31)21-8-12-23(32-3)13-9-21)18-25(30)29(17-24-14-5-19(2)33-24)16-20-6-10-22(27)11-7-20/h5-14H,4,15-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,33,2,20,11,15,27,31,12,14,28,30,19,3,9,17,5,21,10,26,13,29,18,6,24,16,4,8,7,25,32,22/E:(6,7)(8,9)(10,11)(12,13)/rA:33nCCCNCCONCCCCCCCFCCCCCSCCOCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s21;s4;d24;s24;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29FN2O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.3124
Area:675.633
Solvation:-5.57842
Coulombic:-47.0617
Bond Count [?]
All:35
Single:25
Double:10
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:468.585
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.07
LogP (Chemaxon):4.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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