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Chemical ID: 4899919

CCN(CC)CCCNc1c2c(c3c4c(c(nc3s2)N5CCOCC5)COC(C4)(C)C)ncn1

Chemical ID:

4899919

Name [?]:

None

SMILES [?]:

CCN(CC)CCCNc1c2c(c3c4c(c(nc3s2)N5CCOCC5)COC(C4)(C)C)ncn1

InChi [?]:

InChI=1/C25H36N6O2S/c1-5-30(6-2)9-7-8-26-22-21-20(27-16-28-22)19-17-14-25(3,4)33-15-18(17)23(29-24(19)34-21)31-10-12-32-13-11-31/h16H,5-15H2,1-4H3,(H,26,27,28)

InChi Info:

AuxInfo=1/1/N:1,5,30,31,2,4,7,8,6,21,25,22,24,29,26,33,14,15,13,12,11,10,16,18,28,9,32,34,17,3,20,23,27,19/E:(1,2)(3,4)(5,6)(10,11)(12,13)/rA:34nCCNCCCCCNCCCCCCCNCSNCCOCCCOCCCCNCN/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s16;s20;s21;s22;s23;s20s24;s15;s26;s27;s14s28;s28;s28;s12;d32;d10s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₆N₆O₂S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	13.546
Area:	729.097
Solvation:	-4.68145
Coulombic:	-56.0715

Bond Count [?]

All:	38
Single:	32
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	484.659
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.17
LogP (Chemaxon):	3.68

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