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Chemical ID: 5284824

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)OCc5ccccc5)c6nccs6

Chemical ID:

5284824

Name [?]:

None

SMILES [?]:

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)OCc5ccccc5)c6nccs6

InChi [?]:

InChI=1/C29H22N2O5S/c1-17-8-10-21-20(14-17)26(32)24-25(31(28(33)27(24)36-21)29-30-12-13-37-29)19-9-11-22(23(15-19)34-2)35-16-18-6-4-3-5-7-18/h3-15,25H,16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,24,30,29,31,28,32,3,18,4,19,35,36,7,22,26,2,27,17,6,5,20,21,10,16,8,11,13,33,34,15,9,14,23,25,12,37/E:(4,5)(6,7)/rA:37cCCCCCCCCOCCOCONCCCCCCCOCOCCCCCCCCNCCS/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s26;s27;d28;s29;d30;d27s31;s15;d33;s34;d35;s33s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₂N₂O₅S
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	10.9161
Area:	729.373
Solvation:	-7.31824
Coulombic:	-55.275

Bond Count [?]

All:	42
Single:	28
Double:	14
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	510.561
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.27
LogP (Chemaxon):	5.34

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

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Chemical Mix	Source	External ID	Descriptor	Value