Chemical ID: 5938485

CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)N4CCCC4
Chemical ID:
5938485
Name [?]:
N-[4-(2-pyrrolidin-1-ylthiazol-4-yl)phenyl]-4-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)N4CCCC4
InChi [?]:
InChI=1/C24H27N3OS/c1-24(2,3)19-10-6-18(7-11-19)22(28)25-20-12-8-17(9-13-20)21-16-29-23(26-21)27-14-4-5-15-27/h6-13,16H,4-5,14-15H2,1-3H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,3,4,27,28,7,9,16,18,6,10,15,19,26,29,21,17,8,5,14,20,11,23,2,13,24,25,12,22/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:29nCCCCCCCCCCCONCCCCCCCCSCNNCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s21;s22;s20d23;s23;s25;s26;s27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27N3OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.4177
Area:648.577
Solvation:-2.79669
Coulombic:-36.9054
Bond Count [?]
All:32
Single:23
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:405.557
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.36
LogP (Chemaxon):6.66

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Descriptor Annotations

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