Chemical ID: 6372629

C1CCC(C1)C(=O)N2CCCN(CC2)C(=O)C3CCCC3
Chemical ID:
6372629
Name [?]:
cyclopentyl-(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)-methanone
SMILES [?]:
C1CCC(C1)C(=O)N2CCCN(CC2)C(=O)C3CCCC3
InChi [?]:
InChI=1/C17H28N2O2/c20-16(14-6-1-2-7-14)18-10-5-11-19(13-12-18)17(21)15-8-3-4-9-15/h14-15H,1-13H2
InChi Info:
AuxInfo=1/0/N:1,2,19,20,10,5,3,18,21,9,11,14,13,4,17,6,15,8,12,7,16/E:(1,2,3,4)(6,7,8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)/rA:21nCCCCCCONCCCNCCCOCCCCC/rB:s1;s2;s3;s1s4;s4;d6;s6;s8;s9;s10;s11;s12;s8s13;s12;d15;s15;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H28N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.41993
Area:483.68
Solvation:-2.67208
Coulombic:-32.2036
Bond Count [?]
All:23
Single:21
Double:2
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:292.417
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.33
LogP (Chemaxon):1.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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