Chemical ID: 6008531

CCN(CC)C(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)Nc3cccc(c3C)C)c4ccccc4
Chemical ID:
6008531
Name [?]:
3-(diethylcarbamoylmethyl)-N,N-bis[3-(diethylcarbamoylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-9-yl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILES [?]:
CCN(CC)C(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)Nc3cccc(c3C)C)c4ccccc4
InChi [?]:
InChI=1/C28H37N5O3/c1-5-30(6-2)25(34)19-32-20-33(23-12-8-7-9-13-23)28(26(32)35)15-17-31(18-16-28)27(36)29-24-14-10-11-21(3)22(24)4/h7-14H,5-6,15-20H2,1-4H3,(H,29,36)
InChi Info:
AuxInfo=1/1/N:1,5,30,29,2,4,34,33,35,25,26,32,36,24,15,19,16,18,8,10,27,28,31,23,6,13,20,12,22,3,17,9,11,7,14,21/E:(1,2)(5,6)(8,9)(12,13)(15,16)(17,18)/rA:36cCCNCCCOCNCNCCOCCNCCCONCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s11;s9s12;d13;s12;s15;s16;s17;s12s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s27;s11;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H37N5O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:13.7863
Area:728.712
Solvation:-4.43153
Coulombic:-71.4406
Bond Count [?]
All:39
Single:30
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:491.625
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.44
LogP (Chemaxon):3.21

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue