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Chemical ID: 7303584

C=CCn1c(=O)c2ccccc2n3c1nnc3SCC(=O)NC45CC6CC(C4)CC(C6)C5

Chemical ID:

7303584

Name [?]:

None

SMILES [?]:

C=CCn1c(=O)c2ccccc2n3c1nnc3SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChi [?]:

InChI=1/C24H27N5O2S/c1-2-7-28-21(31)18-5-3-4-6-19(18)29-22(28)26-27-23(29)32-14-20(30)25-24-11-15-8-16(12-24)10-17(9-15)13-24/h2-6,15-17H,1,7-14H2,(H,25,30)

InChi Info:

AuxInfo=1/1/N:1,2,9,10,8,11,3,26,29,31,28,24,32,19,27,25,30,7,12,20,5,14,17,23,22,15,16,4,13,21,6,18/E:(8,9,10)(11,12,13)(15,16,17)/rA:32nCCCNCOCCCCCCNCNNCSCCONCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s4s13;d14;s15;s13d16;s17;s18;s19;d20;s20;s22;s23;s24;s25;s26;s23s27;s27;s29;s25s30;s23s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₇N₅O₂S
All Atoms:	59
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	13.2378
Area:	636.751
Solvation:	-2.68095
Coulombic:	-53.4779

Bond Count [?]

All:	37
Single:	29
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	449.57
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.65
LogP (Chemaxon):	2.78

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