Chemical ID: 6024596

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C3CC3)C(=O)c4ccc(cc4)c5ccccc5
Chemical ID:
6024596
Name [?]:
N-cyclopropyl-N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-4-phenyl-benzamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C3CC3)C(=O)c4ccc(cc4)c5ccccc5
InChi [?]:
InChI=1/C31H29FN2O2S/c1-22-17-18-37-29(22)20-33(19-23-7-13-27(32)14-8-23)30(35)21-34(28-15-16-28)31(36)26-11-9-25(10-12-26)24-5-3-2-4-6-24/h2-14,17-18,28H,15-16,19-21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,35,34,36,33,37,11,15,28,30,27,31,12,14,22,23,3,4,9,7,19,2,10,32,29,26,13,21,6,17,24,16,8,20,18,25,5/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:37nCCCCSCCNCCCCCCCFCOCNCCCCOCCCCCCCCCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s21s22;s20;d24;s24;s26;d27;s28;d29;d26s30;s29;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H29FN2O2S
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:12.7117
Area:682.585
Solvation:-4.35288
Coulombic:-41.8719
Bond Count [?]
All:41
Single:28
Double:13
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:512.639
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.15
LogP (Chemaxon):6.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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