Chemical ID: 6007200

CCCCc1ccc(cc1)C(=O)N(CCCOCC)CC(=O)Nc2nc(cs2)C
Chemical ID:
6007200
Name [?]:
4-butyl-N-(3-ethoxypropyl)-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N(CCCOCC)CC(=O)Nc2nc(cs2)C
InChi [?]:
InChI=1/C22H31N3O3S/c1-4-6-8-18-9-11-19(12-10-18)21(27)25(13-7-14-28-5-2)15-20(26)24-22-23-17(3)16-29-22/h9-12,16H,4-8,13-15H2,1-3H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,19,29,2,18,3,15,4,6,10,7,9,14,16,20,27,26,5,8,21,11,24,25,23,13,22,12,17,28/E:(9,10)(11,12)/rA:29nCCCCCCCCCCCONCCCOCCCCONCNCCSC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;s17;s18;s13;s20;d21;s21;s23;d24;s25;d26;s24s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H31N3O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.3251
Area:700.78
Solvation:-5.19442
Coulombic:-51.6516
Bond Count [?]
All:30
Single:23
Double:7
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:417.566
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.06
LogP (Chemaxon):3.59

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Descriptor Annotations

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