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Chemical ID: 5998671
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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