Chemical ID: 5998625

CCC(C)NC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3cccc(c3)OC)c4ccccc4
Chemical ID:
5998625
Name [?]:
2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-N-sec-butyl-acetamide
SMILES [?]:
CCC(C)NC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3cccc(c3)OC)c4ccccc4
InChi [?]:
InChI=1/C27H34N4O4/c1-4-20(2)28-24(32)18-30-19-31(22-10-6-5-7-11-22)27(26(30)34)13-15-29(16-14-27)25(33)21-9-8-12-23(17-21)35-3/h5-12,17,20H,4,13-16,18-19H2,1-3H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,4,29,2,33,32,34,24,23,31,35,25,15,19,16,18,27,8,10,3,22,30,26,6,20,13,12,5,17,9,11,7,21,14,28/E:(6,7)(10,11)(13,14)(15,16)/rA:35cCCCCNCOCNCNCCOCCNCCCOCCCCCCOCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s11;s9s12;d13;s12;s15;s16;s17;s12s18;s17;d20;s20;s22;d23;s24;d25;d22s26;s26;s28;s11;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H34N4O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:2
ZAP Information [?]
Total:12.2428
Area:711.839
Solvation:-5.55318
Coulombic:-70.5545
Bond Count [?]
All:38
Single:29
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:478.583
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.45
LogP (Chemaxon):2.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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