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Chemical ID: 6008218
Chemical ID:
6008218
Name [?]:
N-(3,4-dimethylphenyl)-2-(8-heptanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl)-acetamide
SMILES [?]:
CCCCCCC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)Nc4ccc(c(c4)C)C
InChi [?]:
InChI=1/C30H40N4O3/c1-4-5-6-10-13-28(36)32-18-16-30(17-19-32)29(37)33(22-34(30)26-11-8-7-9-12-26)21-27(35)31-25-15-14-23(2)24(3)20-25/h7-9,11-12,14-15,20H,4-6,10,13,16-19,21-22H2,1-3H3,(H,31,35)
InChi Info:
AuxInfo=1/1/N:1,37,36,2,3,4,23,22,24,5,21,25,6,32,31,11,13,10,14,35,26,18,33,34,30,20,27,7,15,12,29,9,17,19,28,8,16/E:(8,9)(11,12)(16,17)(18,19)/rA:37cCCCCCCCONCCCCCCONCNCCCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s12s18;s19;s20;d21;s22;d23;d20s24;s17;s26;d27;s27;s29;s30;d31;s32;d33;d30s34;s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H40N4O3 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.1526 |
Area: | 783.882 |
Solvation: | -5.44443 |
Coulombic: | -61.0865 |
Bond Count [?]
All: | 40 |
Single: | 31 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 504.664 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 5.55 |
LogP (Chemaxon): | 5.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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