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Chemical ID: 7692109

Cc1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)C34CC5CC(C3)CC(C5)C4

Chemical ID:

7692109

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)C34CC5CC(C3)CC(C5)C4

InChi [?]:

InChI=1/C24H30N4OS/c1-3-8-28-22(24-12-17-9-18(13-24)11-19(10-17)14-24)26-27-23(28)30-15-21(29)25-20-6-4-16(2)5-7-20/h3-7,17-19H,1,8-15H2,2H3,(H,25,29)

InChi Info:

AuxInfo=1/1/N:20,1,19,3,7,4,6,18,24,27,29,26,22,30,11,2,25,23,28,5,9,16,13,21,8,15,14,17,10,12/E:(4,5)(6,7)(9,10,11)(12,13,14)(17,18,19)/rA:30nCCCCCCCNCOCSCNNCNCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s17;s18;d19;s16;s21;s22;s23;s24;s21s25;s25;s27;s23s28;s21s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₀N₄OS
All Atoms:	60
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	13.0154
Area:	631.353
Solvation:	-2.76847
Coulombic:	-35.0946

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.82
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