Chemical ID: 6030148

CCCN(CCC)C(=O)Cc1csc(n1)NC(=O)CN(CC(C)C)C(=O)c2ccc(cc2)Cl
Chemical ID:
6030148
Name [?]:
4-chloro-N-[[4-(dipropylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]-N-isobutyl-benzamide
SMILES [?]:
CCCN(CCC)C(=O)Cc1csc(n1)NC(=O)CN(CC(C)C)C(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C24H33ClN4O3S/c1-5-11-28(12-6-2)22(31)13-20-16-33-24(26-20)27-21(30)15-29(14-17(3)4)23(32)18-7-9-19(25)10-8-18/h7-10,16-17H,5-6,11-15H2,1-4H3,(H,26,27,30)
InChi Info:
AuxInfo=1/1/N:1,7,23,24,2,6,28,32,29,31,3,5,10,21,19,12,22,27,30,11,17,8,25,14,33,15,16,4,20,18,9,26,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:33nCCCNCCCCOCCCSCNNCOCNCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;s21;s22;s22;s20;d25;s25;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H33ClN4O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:13.6938
Area:767.297
Solvation:-5.48858
Coulombic:-58.9291
Bond Count [?]
All:34
Single:26
Double:8
Rotors:15
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:493.063
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.82
LogP (Chemaxon):4.54

Name Annotations

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Descriptor Annotations

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