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Chemical ID: 6024194

CCC(=O)N(CCCOC)CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2c(ccs2)C

Chemical ID:

6024194

Name [?]:

N-[[2-(3,4-dimethoxyphenyl)ethyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(3-methoxypropyl)propanamide

SMILES [?]:

CCC(=O)N(CCCOC)CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2c(ccs2)C

InChi [?]:

InChI=1/C25H36N2O5S/c1-6-24(28)26(12-7-14-30-3)18-25(29)27(17-23-19(2)11-15-33-23)13-10-20-8-9-21(31-4)22(16-20)32-5/h8-9,11,15-16H,6-7,10,12-14,17-18H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,33,10,26,24,2,7,18,19,16,30,6,15,8,31,22,27,11,29,17,20,21,28,3,12,5,14,4,13,9,25,23,32/rA:33nCCCONCCCOCCCONCCCCCCCCOCOCCCCCCSC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s5;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s14;s27;d28;s29;d30;s28s31;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₆N₂O₅S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	9.77794
Area:	745.119
Solvation:	-8.85003
Coulombic:	-53.9771

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	16
Chiral:	0
Rigid Segments:	12

Chemical Properties

Molecular Weight:	476.63
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	1.93
LogP (Chemaxon):	2.33

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