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Chemical ID: 4095156

CC(C)c1ccc(cc1)C2C3CSc4ccccc4C3=NN2c5ccccc5

Chemical ID:

4095156

Name [?]:

None

SMILES [?]:

CC(C)c1ccc(cc1)C2C3CSc4ccccc4C3=NN2c5ccccc5

InChi [?]:

InChI=1/C25H24N2S/c1-17(2)18-12-14-19(15-13-18)25-22-16-28-23-11-7-6-10-21(23)24(22)26-27(25)20-8-4-3-5-9-20/h3-15,17,22,25H,16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,26,25,27,17,16,24,28,18,15,5,9,6,8,12,2,4,7,23,19,11,14,20,10,21,22,13/E:(1,2)(4,5)(8,9)(12,13)(14,15)/rA:28cCCCCCCCCCCCCSCCCCCCCNNCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;d20;s10s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₄N₂S
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	2

ZAP Information [?]

Total:	12.7203
Area:	588.213
Solvation:	-1.98508
Coulombic:	-10.6048

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	384.538
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	7.29
LogP (Chemaxon):	6.83

Name Annotations

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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