Chemical ID: 6025042

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CC=C)C(=O)c3cc(cc(c3)Cl)Cl
Chemical ID:
6025042
Name [?]:
N-allyl-3,5-dichloro-N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]benzamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CC=C)C(=O)c3cc(cc(c3)Cl)Cl
InChi [?]:
InChI=1/C25H23Cl2FN2O2S/c1-3-9-29(25(32)19-11-20(26)13-21(27)12-19)16-24(31)30(15-23-17(2)8-10-33-23)14-18-4-6-22(28)7-5-18/h3-8,10-13H,1,9,14-16H2,2H3
InChi Info:
AuxInfo=1/0/N:23,1,22,11,15,12,14,3,21,4,27,31,29,9,7,19,2,10,26,28,30,13,6,17,24,33,32,16,20,8,18,25,5/E:(4,5)(6,7)(11,12)(20,21)(26,27)/rA:33nCCCCSCCNCCCCCCCFCOCNCCCCOCCCCCCClCl/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;d22;s20;d24;s24;s26;d27;s28;d29;d26s30;s30;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H23Cl2FN2O2S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.9737
Area:703.168
Solvation:-4.60546
Coulombic:-41.6209
Bond Count [?]
All:35
Single:24
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:505.432
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.53
LogP (Chemaxon):5.71

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Descriptor Annotations

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