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Chemical ID: 6030327

CCCCCNC(=O)Cc1csc(n1)NC(=O)CN(CC(C)C)C(=O)c2ccc(c(c2)Cl)Cl

Chemical ID:

6030327

Name [?]:

3,4-dichloro-N-isobutyl-N-[[4-(pentylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide

SMILES [?]:

CCCCCNC(=O)Cc1csc(n1)NC(=O)CN(CC(C)C)C(=O)c2ccc(c(c2)Cl)Cl

InChi [?]:

InChI=1/C23H30Cl2N4O3S/c1-4-5-6-9-26-20(30)11-17-14-33-23(27-17)28-21(31)13-29(12-15(2)3)22(32)16-7-8-18(24)19(25)10-16/h7-8,10,14-15H,4-6,9,11-13H2,1-3H3,(H,26,30)(H,27,28,31)

InChi Info:

AuxInfo=1/1/N:1,22,23,2,3,4,27,28,5,31,9,20,18,11,21,26,10,29,30,7,16,24,13,33,32,6,14,15,19,8,17,25,12/E:(2,3)/rA:33nCCCCCNCOCCCSCNNCOCNCCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;s21;s21;s19;d24;s24;s26;d27;s28;d29;d26s30;s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₀Cl₂N₄O₃S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	14.1284
Area:	786.053
Solvation:	-5.52296
Coulombic:	-63.6321

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	15
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	513.481
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.66
LogP (Chemaxon):	4.8

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value