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Chemical ID: 3887632

Cc1ccc(cc1)NC(=O)CN2c3c(c4c(s3)CCCC4)C(=NCC2=O)c5cccs5

Chemical ID:

3887632

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)NC(=O)CN2c3c(c4c(s3)CCCC4)C(=NCC2=O)c5cccs5

InChi [?]:

InChI=1/C24H23N3O2S2/c1-15-8-10-16(11-9-15)26-20(28)14-27-21(29)13-25-23(19-7-4-12-30-19)22-17-5-2-3-6-18(17)31-24(22)27/h4,7-12H,2-3,5-6,13-14H2,1H3,(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,20,19,29,21,18,28,3,7,4,6,30,24,11,2,5,15,16,27,9,25,14,22,13,23,8,12,10,26,31,17/E:(8,9)(10,11)/rA:31nCCCCCCCNCOCNCCCCSCCCCCNCCOCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s16;s18;s19;s15s20;s14;d22;s23;s12s24;d25;s22;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃N₃O₂S₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0865
Area:	633.848
Solvation:	-3.75974
Coulombic:	-44.4079

Bond Count [?]

All:	35
Single:	25
Double:	10
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	449.59
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.22
LogP (Chemaxon):	3.87

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