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Chemical ID: 7685747

CCCCn1c2c(c(n1)C)c(cc(n2)C3CC3)C(=O)N4CCN(CC4)S(=O)(=O)c5ccc(cc5)C

Chemical ID:

7685747

Name [?]:

None

SMILES [?]:

CCCCn1c2c(c(n1)C)c(cc(n2)C3CC3)C(=O)N4CCN(CC4)S(=O)(=O)c5ccc(cc5)C

InChi [?]:

InChI=1/C26H33N5O3S/c1-4-5-12-31-25-24(19(3)28-31)22(17-23(27-25)20-8-9-20)26(32)29-13-15-30(16-14-29)35(33,34)21-10-6-18(2)7-11-21/h6-7,10-11,17,20H,4-5,8-9,12-16H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,35,10,2,3,31,33,16,17,30,34,4,21,25,22,24,12,32,8,15,29,11,13,7,6,18,14,9,20,23,5,19,27,28,26/E:(6,7)(8,9)(10,11)(13,14)(15,16)(33,34)/CRV:35.6/rA:35nCCCCNCCCNCCCCNCCCCONCCNCCSOOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5d8;s8;d7;s11;d12;d6s13;s13;s15;s15s16;s11;d18;s18;s20;s21;s22;s23;s20s24;s23;d26;d26;s26;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₃N₅O₃S
All Atoms:	68
Heavy Atoms:	35
Chiral Atoms:	None

ZAP Information [?]

Total:	14.3124
Area:	733.783
Solvation:	-4.03215
Coulombic:	-35.0383

Bond Count [?]

All:	39
Single:	29
Double:	10
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.12
LogP (Chemaxon):	None

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

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

Chemical Mix	Source	External ID	Descriptor	Value