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Chemical ID: 4648068

CC(C)C1Cc2c(sc3c2c(=O)n(c4n3c(nn4)SC(C)C)c5ccc(cc5)OC)CO1

Chemical ID:

4648068

Name [?]:

None

SMILES [?]:

CC(C)C1Cc2c(sc3c2c(=O)n(c4n3c(nn4)SC(C)C)c5ccc(cc5)OC)CO1

InChi [?]:

InChI=1/C23H26N4O3S2/c1-12(2)17-10-16-18(11-30-17)32-21-19(16)20(28)26(14-6-8-15(29-5)9-7-14)22-24-25-23(27(21)22)31-13(3)4/h6-9,12-13,17H,10-11H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,3,21,22,30,24,28,25,27,5,31,2,20,23,26,6,4,7,10,11,9,14,16,18,17,13,15,12,29,32,19,8/E:(1,2)(3,4)(6,7)(8,9)/rA:32cCCCCCCCSCCCONCNCNNSCCCCCCCCCOCCO/rB:s1;s2;s2;s4;s5;d6;s7;s8;s6d9;s10;d11;s11;s13;s9s14;s15;d16;d14s17;s16;s19;s20;s20;s13;s23;d24;s25;d26;d23s27;s26;s29;s7;s4s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₆N₄O₃S₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	12.4886
Area:	666.232
Solvation:	-4.16723
Coulombic:	-46.597

Bond Count [?]

All:	36
Single:	28
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	470.61
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.95
LogP (Chemaxon):	4.03

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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