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Chemical ID: 6041848
Chemical ID:
6041848
Name [?]:
N-(2-morpholinoethyl)-2-(4-oxo-8-tert-butyl-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-acetamide
SMILES [?]:
CC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NCCN3CCOCC3
InChi [?]:
InChI=1/C20H29N3O4/c1-20(2,3)15-4-5-17-16(12-15)23(19(25)14-27-17)13-18(24)21-6-7-22-8-10-26-11-9-22/h4-5,12H,6-11,13-14H2,1-3H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,7,20,21,23,27,24,26,10,16,14,5,9,8,17,12,2,19,22,11,18,13,25,15/E:(1,2,3)(8,9)(10,11)/rA:27nCCCCCCCCCCNCOCOCCONCCNCCOCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s8s14;s11;s16;d17;s17;s19;s20;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H29N3O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.1119 |
Area: | 602.669 |
Solvation: | -5.95483 |
Coulombic: | -58.196 |
Bond Count [?]
All: | 29 |
Single: | 24 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 375.462 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 1.24 |
LogP (Chemaxon): | 0.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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