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Chemical ID: 6372629
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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