Chemical ID: 5938704

CC(CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccccc3Cl)CC(C)(C)C
Chemical ID:
5938704
Name [?]:
N-[4-[2-(2-chlorophenyl)aminothiazol-4-yl]phenyl]-3,5,5-trimethyl-hexanamide
SMILES [?]:
CC(CC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccccc3Cl)CC(C)(C)C
InChi [?]:
InChI=1/C24H28ClN3OS/c1-16(14-24(2,3)4)13-22(29)26-18-11-9-17(10-12-18)21-15-30-23(28-21)27-20-8-6-5-7-19(20)25/h5-12,15-16H,13-14H2,1-4H3,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,28,29,30,22,21,23,20,9,11,8,12,3,26,14,2,10,7,24,19,13,4,16,27,25,6,18,17,5,15/E:(2,3,4)(9,10)(11,12)/rA:30cCCCCONCCCCCCCCSCNNCCCCCCClCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;d13;s14;s15;s13d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s2;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H28ClN3OS
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:14.4901
Area:688.624
Solvation:-2.72547
Coulombic:-41.0607
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:442.017
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:7.53
LogP (Chemaxon):7.4

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Descriptor Annotations

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