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Chemical ID: 6666605

CC1COCC(N1C(=O)Nc2ccc(cc2)Cc3ccc(cc3)NC(=O)N4C(COCC4C)C)C

Chemical ID:

6666605

Name [?]:

N,N-bis(3,5-dimethylmorpholin-3-yl)-3,5-dimethyl-morpholine-4-carboxamide

SMILES [?]:

CC1COCC(N1C(=O)Nc2ccc(cc2)Cc3ccc(cc3)NC(=O)N4C(COCC4C)C)C

InChi [?]:

InChI=1/C27H36N4O4/c1-18-14-34-15-19(2)30(18)26(32)28-24-9-5-22(6-10-24)13-23-7-11-25(12-8-23)29-27(33)31-20(3)16-35-17-21(31)4/h5-12,18-21H,13-17H2,1-4H3,(H,28,32)(H,29,33)

InChi Info:

AuxInfo=1/1/N:1,35,33,34,13,15,19,23,12,16,20,22,17,3,5,31,29,2,6,32,28,14,18,11,21,8,25,10,24,7,27,9,26,4,30/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(14,15,16,17)(18,19,20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)/gE:(1,2)/rA:35cCCCOCCNCONCCCCCCCCCCCCCNCONCCOCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s20;d21;d18s22;s21;s24;d25;s25;s27;s28;s29;s30;s27s31;s32;s28;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₆N₄O₄
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	4

ZAP Information [?]

Total:	12.5406
Area:	719.558
Solvation:	-5.44839
Coulombic:	-78.2551

Bond Count [?]

All:	38
Single:	30
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	480.599
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	2.68
LogP (Chemaxon):	4.19

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value