Chemical ID: 5999193

Cc1ccc(cc1)NC(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)N5CCCCC5
Chemical ID:
5999193
Name [?]:
4-oxo-1-phenyl-3-(1-piperidylcarbonylmethyl)-N-(p-tolyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)N5CCCCC5
InChi [?]:
InChI=1/C28H35N5O3/c1-22-10-12-23(13-11-22)29-27(36)31-18-14-28(15-19-31)26(35)32(20-25(34)30-16-6-3-7-17-30)21-33(28)24-8-4-2-5-9-24/h2,4-5,8-13H,3,6-7,14-21H2,1H3,(H,29,36)
InChi Info:
AuxInfo=1/1/N:1,25,34,24,26,33,35,23,27,3,7,4,6,13,15,32,36,12,16,28,20,2,5,22,29,17,9,14,8,31,11,19,21,30,18,10/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:36cCCCCCCCNCONCCCCCCONCNCCCCCCCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;s14s20;s21;s22;d23;s24;d25;d22s26;s19;s28;d29;s29;s31;s32;s33;s34;s31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H35N5O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:12.8343
Area:718.855
Solvation:-5.13712
Coulombic:-70.7534
Bond Count [?]
All:40
Single:31
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:489.609
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.23
LogP (Chemaxon):3.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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