Chemical ID: 6007493

CCCCCCc1ccc(cc1)C(=O)N(CCCCC)CC(=O)Nc2ncc(s2)C
Chemical ID:
6007493
Name [?]:
4-hexyl-N-[(5-methylthiazol-2-yl)carbamoylmethyl]-N-pentyl-benzamide
SMILES [?]:
CCCCCCc1ccc(cc1)C(=O)N(CCCCC)CC(=O)Nc2ncc(s2)C
InChi [?]:
InChI=1/C24H35N3O2S/c1-4-6-8-9-11-20-12-14-21(15-13-20)23(29)27(16-10-7-5-2)18-22(28)26-24-25-17-19(3)30-24/h12-15,17H,4-11,16,18H2,1-3H3,(H,25,26,28)
InChi Info:
AuxInfo=1/1/N:1,20,30,2,19,3,18,4,5,17,6,8,12,9,11,16,27,21,28,7,10,22,13,25,26,24,15,23,14,29/E:(12,13)(14,15)/rA:30nCCCCCCCCCCCCCONCCCCCCCONCNCCSC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;s17;s18;s19;s15;s21;d22;s22;s24;d25;s26;d27;s25s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H35N3O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:14.3827
Area:736.536
Solvation:-4.03069
Coulombic:-45.2154
Bond Count [?]
All:31
Single:24
Double:7
Rotors:15
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:429.62
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.83
LogP (Chemaxon):5.58

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Descriptor Annotations

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