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Chemical ID: 3887584

COc1ccc(cc1)C2=NCC(=O)N(c3c2c4c(s3)CCC4)CC(=O)NCc5cccs5

Chemical ID:

3887584

Name [?]:

None

SMILES [?]:

COc1ccc(cc1)C2=NCC(=O)N(c3c2c4c(s3)CCC4)CC(=O)NCc5cccs5

InChi [?]:

InChI=1/C24H23N3O3S2/c1-30-16-9-7-15(8-10-16)23-22-18-5-2-6-19(18)32-24(22)27(21(29)13-26-23)14-20(28)25-12-17-4-3-11-31-17/h3-4,7-11H,2,5-6,12-14H2,1H3,(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,21,30,29,22,20,5,7,4,8,31,27,11,23,6,3,28,17,18,24,12,16,9,15,26,10,14,25,13,2,32,19/E:(7,8)(9,10)/rA:32nCOCCCCCCCNCCONCCCCSCCCCCONCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;d12;s12;s14;s9d15;s16;d17;s15s18;s18;s20;s17s21;s14;s23;d24;s24;s26;s27;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃N₃O₃S₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7816
Area:	675.228
Solvation:	-5.09911
Coulombic:	-51.5943

Bond Count [?]

All:	36
Single:	26
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	465.59
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	1.31
LogP (Chemaxon):	2.38

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value