Chemical ID: 6041887

CCOC(=O)C1CCCN(C1)C(=O)CCCN2c3cc(ccc3OCC2=O)C(C)(C)C
Chemical ID:
6041887
Name [?]:
ethyl 1-[4-(9-oxo-3-tert-butyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)butanoyl]piperidine-3-carboxylate
SMILES [?]:
CCOC(=O)C1CCCN(C1)C(=O)CCCN2c3cc(ccc3OCC2=O)C(C)(C)C
InChi [?]:
InChI=1/C24H34N2O5/c1-5-30-23(29)17-8-6-12-25(15-17)21(27)9-7-13-26-19-14-18(24(2,3)4)10-11-20(19)31-16-22(26)28/h10-11,14,17H,5-9,12-13,15-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,30,31,2,8,15,7,14,21,22,9,16,19,11,25,6,20,18,23,12,26,4,28,10,17,13,27,5,3,24/E:(2,3,4)/rA:31cCCOCOCCCCNCCOCCCNCCCCCCOCCOCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s10;d12;s12;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s23;s24;s17s25;d26;s20;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H34N2O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.2629
Area:686.209
Solvation:-4.89233
Coulombic:-59.1242
Bond Count [?]
All:33
Single:27
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:430.537
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.1
LogP (Chemaxon):2.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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