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Chemical ID: 7038285

CCCCCOc1ccc(cc1OC)C(NC(=O)c2cccc(c2)Cl)NC(=O)c3cccc(c3)Cl

Chemical ID:

7038285

Name [?]:

3-chloro-N-[(3-chlorobenzoyl)amino-(3-methoxy-4-pentoxy-phenyl)-methyl]-benzamide

SMILES [?]:

CCCCCOc1ccc(cc1OC)C(NC(=O)c2cccc(c2)Cl)NC(=O)c3cccc(c3)Cl

InChi [?]:

InChI=1/C27H28Cl2N2O4/c1-3-4-5-14-35-23-13-12-18(17-24(23)34-2)25(30-26(32)19-8-6-10-21(28)15-19)31-27(33)20-9-7-11-22(29)16-20/h6-13,15-17,25H,3-5,14H2,1-2H3,(H,30,32)(H,31,33)

InChi Info:

AuxInfo=1/1/N:1,14,2,3,4,21,31,20,30,22,32,9,8,5,24,34,11,10,19,29,23,33,7,12,15,17,27,25,35,16,26,18,28,13,6/E:(6,7)(8,9)(10,11)(15,16)(19,20)(21,22)(26,27)(28,29)(30,31)(32,33)/gE:(1,2)/rA:35nCCCCCOCCCCCCOCCNCOCCCCCCClNCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;s15;s26;d27;s27;s29;d30;s31;d32;d29s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₈Cl₂N₂O₄
All Atoms:	63
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	13.308
Area:	803.67
Solvation:	-6.78371
Coulombic:	-60.871

Bond Count [?]

All:	37
Single:	26
Double:	11
Rotors:	13
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	515.428
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	7.32
LogP (Chemaxon):	5.96

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