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Chemical ID: 6666605
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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Experimental Annotations
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Descriptor Annotations
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