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Chemical ID: 6003351

Cc1csc(n1)NC(=O)CN(CC2CCCO2)C(=O)c3c(cccc3OC)OC

Chemical ID:

6003351

Name [?]:

2,6-dimethoxy-N-[(4-methylthiazol-2-yl)carbamoylmethyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide

SMILES [?]:

Cc1csc(n1)NC(=O)CN(CC2CCCO2)C(=O)c3c(cccc3OC)OC

InChi [?]:

InChI=1/C20H25N3O5S/c1-13-12-29-20(21-13)22-17(24)11-23(10-14-6-5-9-28-14)19(25)18-15(26-2)7-4-8-16(18)27-3/h4,7-8,12,14H,5-6,9-11H2,1-3H3,(H,21,22,24)

InChi Info:

AuxInfo=1/1/N:1,27,29,23,15,14,24,22,16,12,10,3,2,13,25,21,8,20,18,5,6,7,11,9,19,26,28,17,4/E:(2,3)(7,8)(15,16)(26,27)/rA:29cCCCSCNNCOCNCCCCCOCOCCCCCCOCOC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s13s16;s11;d18;s18;s20;d21;s22;d23;d20s24;s25;s26;s21;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅N₃O₅S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	5.77848
Area:	603.789
Solvation:	-9.31625
Coulombic:	-61.1148

Bond Count [?]

All:	31
Single:	24
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	419.496
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	1.61
LogP (Chemaxon):	1.43

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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