Chemical ID: 6007899

COc1ccc(cc1)C(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)N5CCCC5
Chemical ID:
6007899
Name [?]:
8-(4-methoxybenzoyl)-1-phenyl-3-(pyrrolidin-1-ylcarbonylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILES [?]:
COc1ccc(cc1)C(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)N5CCCC5
InChi [?]:
InChI=1/C27H32N4O4/c1-35-23-11-9-21(10-12-23)25(33)29-17-13-27(14-18-29)26(34)30(19-24(32)28-15-5-6-16-28)20-31(27)22-7-3-2-4-8-22/h2-4,7-12H,5-6,13-20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,33,34,23,27,5,7,4,8,13,15,32,35,12,16,28,20,6,22,3,29,9,17,14,31,11,19,21,30,10,18,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:35cCOCCCCCCCONCCCCCCONCNCCCCCCCCONCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;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:C27H32N4O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:11.2383
Area:696.122
Solvation:-6.16478
Coulombic:-64.8596
Bond Count [?]
All:39
Single:30
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:476.568
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:2.86
LogP (Chemaxon):1.91

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue