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Chemical ID: 5351632

COc1cccc(c1)n2c(=O)c3c4c(sc3nc2SCc5ccc(cc5Cl)Cl)CCCCC4

Chemical ID:

5351632

Name [?]:

None

SMILES [?]:

COc1cccc(c1)n2c(=O)c3c4c(sc3nc2SCc5ccc(cc5Cl)Cl)CCCCC4

InChi [?]:

InChI=1/C25H22Cl2N2O2S2/c1-31-18-7-5-6-17(13-18)29-24(30)22-19-8-3-2-4-9-21(19)33-23(22)28-25(29)32-14-15-10-11-16(26)12-20(15)27/h5-7,10-13H,2-4,8-9,14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,31,32,30,5,6,4,33,29,22,23,25,8,20,21,24,7,3,13,26,14,12,16,10,18,28,27,17,9,11,2,19,15/rA:33nCOCCCCCCNCOCCCSCNCSCCCCCCCClClCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;d13;s14;d12s15;s16;s9d17;s18;s19;s20;s21;d22;s23;d24;d21s25;s26;s24;s14;s29;s30;s31;s13s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₂Cl₂N₂O₂S₂
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	14.7706
Area:	715.569
Solvation:	-3.11865
Coulombic:	-33.8147

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	517.492
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	6.05
LogP (Chemaxon):	7.61

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