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Chemical ID: 5915037

CC(C(=O)N(CCCOC)CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)Cl

Chemical ID:

5915037

Name [?]:

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

SMILES [?]:

CC(C(=O)N(CCCOC)CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)Cl

InChi [?]:

InChI=1/C24H33ClN2O5S/c1-18(25)24(29)27(11-6-13-30-2)17-23(28)26(16-20-7-5-14-33-20)12-10-19-8-9-21(31-3)22(15-19)32-4/h5,7-9,14-15,18H,6,10-13,16-17H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,10,26,24,30,7,29,18,19,16,6,15,8,31,22,27,11,2,17,28,20,21,12,3,33,14,5,13,4,9,25,23,32/rA:33cCCCONCCCOCCCONCCCCCCCCOCOCCCCCCSCl/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;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₃ClN₂O₅S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	9.79504
Area:	754.208
Solvation:	-9.06016
Coulombic:	-55.0486

Bond Count [?]

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

Chemical Properties

Molecular Weight:	497.048
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	2.07
LogP (Chemaxon):	2.36

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