Chemical ID: 6007539

CCCCCc1ccc(cc1)C(=O)N(CCC(C)C)CC(=O)Nc2ncc(s2)C
Chemical ID:
6007539
Name [?]:
N-isopentyl-N-[(5-methylthiazol-2-yl)carbamoylmethyl]-4-pentyl-benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(CCC(C)C)CC(=O)Nc2ncc(s2)C
InChi [?]:
InChI=1/C23H33N3O2S/c1-5-6-7-8-19-9-11-20(12-10-19)22(28)26(14-13-17(2)3)16-21(27)25-23-24-15-18(4)29-23/h9-12,15,17H,5-8,13-14,16H2,1-4H3,(H,24,25,27)
InChi Info:
AuxInfo=1/1/N:1,18,19,29,2,3,4,5,7,11,8,10,16,15,26,20,17,27,6,9,21,12,24,25,23,14,22,13,28/E:(2,3)(9,10)(11,12)/rA:29nCCCCCCCCCCCCONCCCCCCCONCNCCSC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s17;s14;s20;d21;s21;s23;d24;s25;d26;s24s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H33N3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.38
Area:702.008
Solvation:-4.17019
Coulombic:-44.5188
Bond Count [?]
All:30
Single:23
Double:7
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:415.593
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.2
LogP (Chemaxon):5.12

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Descriptor Annotations

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