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Chemical ID: 5999356
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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