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Chemical ID: 7217432

CCOc1ccc(cc1)OCc2ccc(o2)c3nc4c5c(c(sc5ncn4n3)C(=O)OC)C

Chemical ID:

7217432

Name [?]:

None

SMILES [?]:

CCOc1ccc(cc1)OCc2ccc(o2)c3nc4c5c(c(sc5ncn4n3)C(=O)OC)C

InChi [?]:

InChI=1/C23H20N4O5S/c1-4-30-14-5-7-15(8-6-14)31-11-16-9-10-17(32-16)20-25-21-18-13(2)19(23(28)29-3)33-22(18)24-12-27(21)26-20/h5-10,12H,4,11H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,33,32,2,5,9,6,8,13,14,11,26,21,4,7,12,15,20,22,17,19,24,29,25,18,28,27,30,31,3,10,16,23/E:(5,6)(7,8)/rA:33nCCOCCCCCCOCCCCCOCNCCCCSCNCNNCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;s20;d21;s22;d20s23;s24;d25;s19s26;d17s27;s22;d29;s29;s31;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₀N₄O₅S
All Atoms:	53
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.735
Area:	704.838
Solvation:	-5.88594
Coulombic:	-59.9958

Bond Count [?]

All:	37
Single:	26
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	464.495
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	2.92
LogP (Chemaxon):	3.71

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