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Chemical ID: 5908947

COCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2ccco2)C(=O)c3cccc(c3)Cl

Chemical ID:

5908947

Name [?]:

3-chloro-N-[[2-(3,4-dimethoxyphenyl)ethyl-(2-furylmethyl)carbamoyl]methyl]-N-(3-methoxypropyl)benzamide

SMILES [?]:

COCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2ccco2)C(=O)c3cccc(c3)Cl

InChi [?]:

InChI=1/C28H33ClN2O6/c1-34-15-6-13-31(28(33)22-7-4-8-23(29)18-22)20-27(32)30(19-24-9-5-16-37-24)14-12-21-10-11-25(35-2)26(17-21)36-3/h4-5,7-11,16-18H,6,12-15,19-20H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,22,20,33,26,4,32,34,25,14,15,12,5,11,3,27,18,36,23,7,13,31,35,24,16,17,8,29,37,10,6,9,30,2,21,19,28/rA:37nCOCCCNCCONCCCCCCCCOCOCCCCCCOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s10;s23;d24;s25;d26;s24s27;s6;d29;s29;s31;d32;s33;d34;d31s35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₃ClN₂O₆
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6741
Area:	805.753
Solvation:	-9.46969
Coulombic:	-63.1031

Bond Count [?]

All:	39
Single:	29
Double:	10
Rotors:	16
Chiral:	0
Rigid Segments:	12

Chemical Properties

Molecular Weight:	529.024
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	3.51
LogP (Chemaxon):	3.01

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