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Chemical ID: 6631969

CCCCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)Cl

Chemical ID:

6631969

Name [?]:

N-[(4-butoxyphenyl)methyleneamino]-N'-[2-[(4-chlorophenyl)carbamoyl]phenyl]-oxamide

SMILES [?]:

CCCCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)Cl

InChi [?]:

InChI=1/C26H25ClN4O4/c1-2-3-16-35-21-14-8-18(9-15-21)17-28-31-26(34)25(33)30-23-7-5-4-6-22(23)24(32)29-20-12-10-19(27)11-13-20/h4-15,17H,2-3,16H2,1H3,(H,29,32)(H,30,33)(H,31,34)

InChi Info:

AuxInfo=1/1/N:1,2,3,23,22,24,21,8,10,31,33,30,34,7,11,4,12,9,32,29,6,25,20,26,17,15,35,13,28,19,14,27,18,16,5/E:(8,9)(10,11)(12,13)(14,15)/rA:35nCCCCOCCCCCCCNNCOCONCCCCCCCONCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;d26;s26;s28;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₅ClN₄O₄
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	14.2181
Area:	768.758
Solvation:	-5.00083
Coulombic:	-74.8756

Bond Count [?]

All:	37
Single:	24
Double:	13
Rotors:	13
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	492.954
H-Bond Donors:	3
H-Bond Acceptors:	8
XLogP:	6.31
LogP (Chemaxon):	5.51

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