Chemical ID: 5998671

CN(C)C(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)Nc4ccc(cc4)F
Chemical ID:
5998671
Name [?]:
3-[(4-fluorophenyl)carbamoylmethyl]-N,N-dimethyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILES [?]:
CN(C)C(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)Nc4ccc(cc4)F
InChi [?]:
InChI=1/C24H28FN5O3/c1-27(2)23(33)28-14-12-24(13-15-28)22(32)29(17-30(24)20-6-4-3-5-7-20)16-21(31)26-19-10-8-18(25)9-11-19/h3-11H,12-17H2,1-2H3,(H,26,31)
InChi Info:
AuxInfo=1/1/N:1,3,20,19,21,18,22,29,31,28,32,8,10,7,11,23,15,30,27,17,24,12,4,9,33,26,2,6,14,16,25,13,5/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:33cCNCCONCCCCCCONCNCCCCCCCCONCCCCCCF/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s9s15;s16;s17;d18;s19;d20;d17s21;s14;s23;d24;s24;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H28FN5O3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:9.90223
Area:643.482
Solvation:-6.18482
Coulombic:-73.1606
Bond Count [?]
All:36
Single:27
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:453.509
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.09
LogP (Chemaxon):2.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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