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Chemical ID: 5916000

Cc1ccc(s1)CN(CCc2ccc(c(c2)OC)OC)C(=O)CN(CC3CCCO3)C(=O)CCl

Chemical ID:

5916000

Name [?]:

2-[(2-chloroacetyl)-(tetrahydrofuran-2-ylmethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methyl-2-thienyl)methyl]acetamide

SMILES [?]:

Cc1ccc(s1)CN(CCc2ccc(c(c2)OC)OC)C(=O)CN(CC3CCCO3)C(=O)CCl

InChi [?]:

InChI=1/C25H33ClN2O5S/c1-18-6-8-21(34-18)16-27(11-10-19-7-9-22(31-2)23(13-19)32-3)25(30)17-28(24(29)14-26)15-20-5-4-12-33-20/h6-9,13,20H,4-5,10-12,14-17H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,20,18,28,27,3,12,4,13,10,9,29,16,33,25,7,23,2,11,26,5,14,15,31,21,34,8,24,32,22,19,17,30,6/rA:34cCCCCCSCNCCCCCCCCOCOCCOCNCCCCCOCOCCl/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s8;d21;s21;s23;s24;s25;s26;s27;s28;s26s29;s24;d31;s31;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₃ClN₂O₅S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	9.14258
Area:	765.225
Solvation:	-9.98804
Coulombic:	-52.7226

Bond Count [?]

All:	36
Single:	29
Double:	7
Rotors:	14
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	509.059
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	1.81
LogP (Chemaxon):	2.16

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