Chemical ID: 5999272

CN(C)C(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)Nc3ccc(cc3)OC)c4ccccc4
Chemical ID:
5999272
Name [?]:
3-(dimethylcarbamoylmethyl)-N,N-bis[3-(dimethylcarbamoylmethyl)-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 [?]:
CN(C)C(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)Nc3ccc(cc3)OC)c4ccccc4
InChi [?]:
InChI=1/C25H31N5O4/c1-27(2)22(31)17-29-18-30(20-7-5-4-6-8-20)25(23(29)32)13-15-28(16-14-25)24(33)26-19-9-11-21(34-3)12-10-19/h4-12H,13-18H2,1-3H3,(H,26,33)
InChi Info:
AuxInfo=1/1/N:1,3,28,32,31,33,30,34,22,26,23,25,13,17,14,16,6,8,21,29,24,4,11,18,10,20,2,15,7,9,5,12,19,27/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:34cCNCCOCNCNCCOCCNCCCONCCCCCCOCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s7s10;d11;s10;s13;s14;s15;s10s16;s15;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;s27;s9;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H31N5O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:11.0876
Area:684.596
Solvation:-6.02733
Coulombic:-77.2307
Bond Count [?]
All:37
Single:28
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:465.545
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:1.85
LogP (Chemaxon):1.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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