Chemical ID: 6000909

CCCCc1ccc(cc1)C(=O)N(CC(=O)Nc2nc(cs2)C)C(C)C
Chemical ID:
6000909
Name [?]:
4-butyl-N-isopropyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N(CC(=O)Nc2nc(cs2)C)C(C)C
InChi [?]:
InChI=1/C20H27N3O2S/c1-5-6-7-16-8-10-17(11-9-16)19(25)23(14(2)3)12-18(24)22-20-21-15(4)13-26-20/h8-11,13-14H,5-7,12H2,1-4H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,26,23,2,3,4,6,10,7,9,14,21,24,20,5,8,15,11,18,19,17,13,16,12,22/E:(2,3)(8,9)(10,11)/rA:26nCCCCCCCCCCCONCCONCNCCSCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;s18s21;s20;s13;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27N3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.7266
Area:607.321
Solvation:-3.45641
Coulombic:-44.376
Bond Count [?]
All:27
Single:20
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:373.513
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.35
LogP (Chemaxon):4.11

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Descriptor Annotations

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