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Chemical ID: 7723200

Cc1cc(c(c(c1)C)NC(=O)CSc2nnc(n2CCOC)Cc3cccn3C)C

Chemical ID:

7723200

Name [?]:

None

SMILES [?]:

Cc1cc(c(c(c1)C)NC(=O)CSc2nnc(n2CCOC)Cc3cccn3C)C

InChi [?]:

InChI=1/C22H29N5O2S/c1-15-11-16(2)21(17(3)12-15)23-20(28)14-30-22-25-24-19(27(22)9-10-29-5)13-18-7-6-8-26(18)4/h6-8,11-12H,9-10,13-14H2,1-5H3,(H,23,28)

InChi Info:

AuxInfo=1/1/N:1,8,30,29,22,26,25,27,19,20,7,3,23,12,2,6,4,24,17,10,5,14,9,16,15,28,18,11,21,13/E:(2,3)(11,12)(16,17)/rA:30nCCCCCCCCNCOCSCNNCNCCOCCCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s15;d16;s14s17;s18;s19;s20;s21;s17;s23;d24;s25;d26;s24s27;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₉N₅O₂S
All Atoms:	59
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	11.8156
Area:	668.335
Solvation:	-4.89274
Coulombic:	-44.2281

Bond Count [?]

All:	32
Single:	24
Double:	8
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.15
LogP (Chemaxon):	None

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