Chemical ID: 6007910

c1ccc(cc1)C2CC2C(=O)N3CCC4(CC3)C(=O)N(CN4c5ccccc5)CC(=O)N6CCCC6
Chemical ID:
6007910
Name [?]:
1-phenyl-8-(2-phenylcyclopropyl)carbonyl-3-(pyrrolidin-1-ylcarbonylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILES [?]:
c1ccc(cc1)C2CC2C(=O)N3CCC4(CC3)C(=O)N(CN4c5ccccc5)CC(=O)N6CCCC6
InChi [?]:
InChI=1/C29H34N4O3/c34-26(30-15-7-8-16-30)20-32-21-33(23-11-5-2-6-12-23)29(28(32)36)13-17-31(18-14-29)27(35)25-19-24(25)22-9-3-1-4-10-22/h1-6,9-12,24-25H,7-8,13-21H2
InChi Info:
AuxInfo=1/0/N:1,26,2,6,25,27,34,35,3,5,24,28,14,16,33,36,13,17,8,29,21,4,23,7,9,30,10,18,15,32,12,20,22,31,11,19/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:36cCCCCCCCCCCONCCCCCCONCNCCCCCCCCONCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s7s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s15s21;s22;s23;d24;s25;d26;d23s27;s20;s29;d30;s30;s32;s33;s34;s32s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H34N4O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:3
ZAP Information [?]
Total:11.9442
Area:708.23
Solvation:-5.76156
Coulombic:-56.3597
Bond Count [?]
All:41
Single:32
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:486.605
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.82
LogP (Chemaxon):2.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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