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Chemical ID: 5914995

COCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)CCl

Chemical ID:

5914995

Name [?]:

2-[(2-chloroacetyl)-(3-methoxypropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-thienylmethyl)acetamide

SMILES [?]:

COCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)CCl

InChi [?]:

InChI=1/C23H31ClN2O5S/c1-29-12-5-10-25(22(27)15-24)17-23(28)26(16-19-6-4-13-32-19)11-9-18-7-8-20(30-2)21(14-18)31-3/h4,6-8,13-14H,5,9-12,15-17H2,1-3H3

InChi Info:

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

Chemical Details

Atom Count

Formula:	C₂₃H₃₁ClN₂O₅S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	9.59239
Area:	752.458
Solvation:	-9.21905
Coulombic:	-54.4955

Bond Count [?]

All:	33
Single:	26
Double:	7
Rotors:	16
Chiral:	0
Rigid Segments:	12

Chemical Properties

Molecular Weight:	483.021
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	1.77
LogP (Chemaxon):	1.82

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