Chemical ID: 5998745

c1ccc(cc1)C=CC(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)N5CCCC5
Chemical ID:
5998745
Name [?]:
1-phenyl-8-(3-phenylprop-2-enoyl)-3-(pyrrolidin-1-ylcarbonylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILES [?]:
c1ccc(cc1)C=CC(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)N5CCCC5
InChi [?]:
InChI=1/C28H32N4O3/c33-25(14-13-23-9-3-1-4-10-23)30-19-15-28(16-20-30)27(35)31(21-26(34)29-17-7-8-18-29)22-32(28)24-11-5-2-6-12-24/h1-6,9-14H,7-8,15-22H2
InChi Info:
AuxInfo=1/0/N:1,25,2,6,24,26,33,34,3,5,23,27,7,8,13,15,32,35,12,16,28,20,4,22,9,29,17,14,31,11,19,21,10,30,18/E:(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)(17,18)(19,20)/rA:35cCCCCCCCCCONCCCCCCONCNCCCCCCCCONCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;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;s31s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H32N4O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:11.7193
Area:695.527
Solvation:-5.66887
Coulombic:-57.7801
Bond Count [?]
All:39
Single:29
Double:10
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:472.579
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.22
LogP (Chemaxon):2.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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