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Chemical ID: 6008081

COCCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)Nc3ccc(c(c3)F)F)c4ccccc4

Chemical ID:

6008081

Name [?]:

3-(3-methoxypropylcarbamoylmethyl)-N,N-bis[3-(3-methoxypropylcarbamoylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-9-yl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

SMILES [?]:

COCCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)Nc3ccc(c(c3)F)F)c4ccccc4

InChi [?]:

InChI=1/C26H31F2N5O4/c1-37-15-5-12-29-23(34)17-32-18-33(20-6-3-2-4-7-20)26(24(32)35)10-13-31(14-11-26)25(36)30-19-8-9-21(27)22(28)16-19/h2-4,6-9,16H,5,10-15,17-18H2,1H3,(H,29,34)(H,30,36)

InChi Info:

AuxInfo=1/1/N:1,35,34,36,4,33,37,25,26,16,20,5,17,19,3,29,9,11,24,32,27,28,7,14,21,13,31,30,6,23,18,10,12,8,15,22,2/E:(3,4)(6,7)(10,11)(13,14)/rA:37cCOCCCNCOCNCNCCOCCNCCCONCCCCCCFFCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s10s13;d14;s13;s16;s17;s18;s13s19;s18;d21;s21;s23;s24;d25;s26;d27;d24s28;s28;s27;s12;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₁F₂N₅O₄
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	10.8707
Area:	743.58
Solvation:	-7.71876
Coulombic:	-89.4373

Bond Count [?]

All:	40
Single:	31
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	515.552
H-Bond Donors:	2
H-Bond Acceptors:	9
XLogP:	2.28
LogP (Chemaxon):	2.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value