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Chemical ID: 5881251

CCCN(CC(=O)Nc1cc(nn1c2cccc(c2C)C)C(C)(C)C)C(=O)c3ccc(c(c3)Cl)Cl

Chemical ID:

5881251

Name [?]:

3,4-dichloro-N-[[2-(2,3-dimethylphenyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]-N-propyl-benzamide

SMILES [?]:

CCCN(CC(=O)Nc1cc(nn1c2cccc(c2C)C)C(C)(C)C)C(=O)c3ccc(c(c3)Cl)Cl

InChi [?]:

InChI=1/C27H32Cl2N4O2/c1-7-13-32(26(35)19-11-12-20(28)21(29)14-19)16-25(34)30-24-15-23(27(4,5)6)31-33(24)22-10-8-9-17(2)18(22)3/h8-12,14-15H,7,13,16H2,1-6H3,(H,30,34)

InChi Info:

AuxInfo=1/1/N:1,21,20,23,24,25,2,16,17,15,29,30,3,33,10,5,18,19,28,31,32,14,11,9,6,26,22,35,34,8,12,4,13,7,27/E:(4,5,6)/rA:35nCCCNCCONCCCNNCCCCCCCCCCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;d14s18;s19;s18;s11;s22;s22;s22;s4;d26;s26;s28;d29;s30;d31;d28s32;s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₂Cl₂N₄O₂
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	15.3581
Area:	766.429
Solvation:	-3.80268
Coulombic:	-45.103

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	515.474
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.52
LogP (Chemaxon):	6.98

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value