Chemical ID: 5999465

COCCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)NC3CCCCC3)c4ccccc4
Chemical ID:
5999465
Name [?]:
3-(3-methoxypropylcarbamoylmethyl)-N,N-bis[3-(3-methoxypropylcarbamoylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-9-yl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILES [?]:
COCCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)NC3CCCCC3)c4ccccc4
InChi [?]:
InChI=1/C26H39N5O4/c1-35-18-8-15-27-23(32)19-30-20-31(22-11-6-3-7-12-22)26(24(30)33)13-16-29(17-14-26)25(34)28-21-9-4-2-5-10-21/h3,6-7,11-12,21H,2,4-5,8-10,13-20H2,1H3,(H,27,32)(H,28,34)
InChi Info:
AuxInfo=1/1/N:1,27,33,26,28,32,34,4,25,29,31,35,16,20,5,17,19,3,9,11,24,30,7,14,21,13,6,23,18,10,12,8,15,22,2/E:(4,5)(6,7)(9,10)(11,12)(13,14)(16,17)/rA:35cCOCCCNCOCNCNCCOCCNCCCONCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s10s13;d14;s13;s16;s17;s18;s13s19;s18;d21;s21;s23;s24;s25;s26;s27;s24s28;s12;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H39N5O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:12.6492
Area:743.264
Solvation:-5.93243
Coulombic:-83.5064
Bond Count [?]
All:38
Single:32
Double:6
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:485.619
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:2.22
LogP (Chemaxon):1.31

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Experimental Annotations

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Descriptor Annotations

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