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Chemical ID: 3925693

Cc1cc(no1)NC(=O)CCC(=O)N(Cc2ccccc2Cl)CC(=O)NCC3CCCO3

Chemical ID:

3925693

Name [?]:

N'-[(2-chlorophenyl)methyl]-N-(5-methylisoxazol-3-yl)-N'-(tetrahydrofuran-2-ylmethylcarbamoylmethyl)butanediamide

SMILES [?]:

Cc1cc(no1)NC(=O)CCC(=O)N(Cc2ccccc2Cl)CC(=O)NCC3CCCO3

InChi [?]:

InChI=1/C22H27ClN4O5/c1-15-11-19(26-32-15)25-20(28)8-9-22(30)27(13-16-5-2-3-7-18(16)23)14-21(29)24-12-17-6-4-10-31-17/h2-3,5,7,11,17H,4,6,8-10,12-14H2,1H3,(H,24,29)(H,25,26,28)

InChi Info:

AuxInfo=1/1/N:1,18,19,30,17,29,20,10,11,31,3,27,15,23,2,16,28,21,4,8,24,12,22,26,7,5,14,9,25,13,32,6/rA:32cCCCCNONCOCCCONCCCCCCCClCCONCCCCCO/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s8;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s14;s23;d24;s24;s26;s27;s28;s29;s30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₇ClN₄O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	11.8299
Area:	727.216
Solvation:	-6.35046
Coulombic:	-68.0617

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	462.926
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	1.72
LogP (Chemaxon):	1.46

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value