Chemical ID: 5999356

Cc1cccc(c1)NC(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)N5CCOCC5
Chemical ID:
5999356
Name [?]:
3-(morpholinocarbonylmethyl)-N-(m-tolyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILES [?]:
Cc1cccc(c1)NC(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)N5CCOCC5
InChi [?]:
InChI=1/C27H33N5O4/c1-21-6-5-7-22(18-21)28-26(35)30-12-10-27(11-13-30)25(34)31(19-24(33)29-14-16-36-17-15-29)20-32(27)23-8-3-2-4-9-23/h2-9,18H,10-17,19-20H2,1H3,(H,28,35)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,4,3,5,23,27,13,15,12,16,32,36,33,35,7,28,20,2,6,22,29,17,9,14,8,31,11,19,21,30,18,10,34/E:(3,4)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:36cCCCCCCCNCONCCCCCCONCNCCCCCCCCONCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;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:C27H33N5O4
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:11.1693
Area:713.789
Solvation:-6.67541
Coulombic:-77.9776
Bond Count [?]
All:40
Single:31
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:491.582
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:1.97
LogP (Chemaxon):2.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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