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Chemical ID: 6024155

CCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2c(ccs2)C)C(=O)C(C)(C)CCl

Chemical ID:

6024155

Name [?]:

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

SMILES [?]:

CCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2c(ccs2)C)C(=O)C(C)(C)CCl

InChi [?]:

InChI=1/C26H37ClN2O4S/c1-7-12-29(25(31)26(3,4)18-27)17-24(30)28(16-23-19(2)11-14-34-23)13-10-20-8-9-21(32-5)22(15-20)33-6/h8-9,11,14-15H,7,10,12-13,16-18H2,1-6H3

InChi Info:

AuxInfo=1/0/N:1,27,31,32,20,18,2,12,13,10,24,3,9,25,16,21,5,33,23,11,14,15,22,6,28,30,34,8,4,7,29,19,17,26/E:(3,4)/rA:34nCCCNCCONCCCCCCCCOCOCCCCCCSCCOCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s8;s21;d22;s23;d24;s22s25;s23;s4;d28;s28;s30;s30;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₇ClN₂O₄S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5833
Area:	748.409
Solvation:	-7.12689
Coulombic:	-48.4913

Bond Count [?]

All:	35
Single:	28
Double:	7
Rotors:	15
Chiral:	0
Rigid Segments:	12

Chemical Properties

Molecular Weight:	509.102
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.38
LogP (Chemaxon):	4.62

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

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

Chemical Mix	Source	External ID	Descriptor	Value