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Chemical ID: 5998569
Chemical ID:
5998569
Name [?]:
3-[(4-acetylpiperazin-1-yl)carbonylmethyl]-8-(2,2-dimethylpropanoyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILES [?]:
CC(=O)N1CCN(CC1)C(=O)CN2CN(C3(C2=O)CCN(CC3)C(=O)C(C)(C)C)c4ccccc4
InChi [?]:
InChI=1/C26H37N5O4/c1-20(32)27-14-16-28(17-15-27)22(33)18-30-19-31(21-8-6-5-7-9-21)26(24(30)35)10-12-29(13-11-26)23(34)25(2,3)4/h5-9H,10-19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,28,29,33,32,34,31,35,19,23,20,22,5,9,6,8,12,14,2,30,10,24,17,26,16,4,7,21,13,15,3,11,25,18/E:(2,3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:35cCCONCCNCCCOCNCNCCOCCNCCCOCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;d10;s10;s12;s13;s14;s15;s13s16;d17;s16;s19;s20;s21;s16s22;s21;d24;s24;s26;s26;s26;s15;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H37N5O4 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3857 |
Area: | 697.006 |
Solvation: | -6.03947 |
Coulombic: | -70.9144 |
Bond Count [?]
All: | 38 |
Single: | 31 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 483.603 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 9 |
XLogP: | 0.9 |
LogP (Chemaxon): | 1.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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