Chemical ID: 5921476

CCC(C)CN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C)C(=O)Nc3cccc(c3)F
Chemical ID:
5921476
Name [?]:
2-[(3-fluorophenyl)carbamoyl-(2-methylbutyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
CCC(C)CN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C)C(=O)Nc3cccc(c3)F
InChi [?]:
InChI=1/C27H31F2N3O2S/c1-4-19(2)15-32(27(34)30-24-7-5-6-23(29)14-24)18-26(33)31(17-25-13-8-20(3)35-25)16-21-9-11-22(28)12-10-21/h5-14,19H,4,15-18H2,1-3H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,4,25,2,31,32,30,22,13,17,14,16,21,34,5,11,19,7,3,23,12,15,33,29,20,8,26,18,35,28,10,6,9,27,24/E:(9,10)(11,12)/rA:35cCCCCCNCCONCCCCCCCFCCCCCSCCONCCCCCCF/rB:s1;s2;s3;s3;s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s10;s19;d20;s21;d22;s20s23;s23;s6;d26;s26;s28;s29;d30;s31;d32;d29s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H31F2N3O2S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:13.1743
Area:733.04
Solvation:-5.15167
Coulombic:-56.7837
Bond Count [?]
All:37
Single:27
Double:10
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:499.617
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.67
LogP (Chemaxon):5.62

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Descriptor Annotations

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