Chemical ID: 5998569

CC(=O)N1CCN(CC1)C(=O)CN2CN(C3(C2=O)CCN(CC3)C(=O)C(C)(C)C)c4ccccc4
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

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Descriptor Annotations

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