Chemical ID: 6008395

CCN(CC)C(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)CCC3CCCC3)c4ccccc4
Chemical ID:
6008395
Name [?]:
2-[8-(3-cyclopentylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-N,N-diethyl-acetamide
SMILES [?]:
CCN(CC)C(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)CCC3CCCC3)c4ccccc4
InChi [?]:
InChI=1/C27H40N4O3/c1-3-28(4-2)25(33)20-30-21-31(23-12-6-5-7-13-23)27(26(30)34)16-18-29(19-17-27)24(32)15-14-22-10-8-9-11-22/h5-7,12-13,22H,3-4,8-11,14-21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,32,31,33,26,27,25,28,30,34,23,22,15,19,16,18,8,10,24,29,20,6,13,12,3,17,9,11,21,7,14/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(16,17)(18,19)/rA:34cCCNCCCOCNCNCCOCCNCCCOCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s11;s9s12;d13;s12;s15;s16;s17;s12s18;s17;d20;s20;s22;s23;s24;s25;s26;s24s27;s11;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H40N4O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.4692
Area:718.091
Solvation:-4.48306
Coulombic:-57.2654
Bond Count [?]
All:37
Single:31
Double:6
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:468.632
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.27
LogP (Chemaxon):2.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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