Chemical ID: 6008401

CCN(CC)C(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)C(C)(C)CCl)c3ccccc3
Chemical ID:
6008401
Name [?]:
2-[8-(3-chloro-2,2-dimethyl-propanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-N,N-diethyl-acetamide
SMILES [?]:
CCN(CC)C(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)C(C)(C)CCl)c3ccccc3
InChi [?]:
InChI=1/C24H35ClN4O3/c1-5-26(6-2)20(30)16-28-18-29(19-10-8-7-9-11-19)24(22(28)32)12-14-27(15-13-24)21(31)23(3,4)17-25/h7-11H,5-6,12-18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,23,24,2,4,30,29,31,28,32,15,19,16,18,8,25,10,27,6,20,13,22,12,26,3,17,9,11,7,21,14/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)/rA:32cCCNCCCOCNCNCCOCCNCCCOCCCCClCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s11;s9s12;d13;s12;s15;s16;s17;s12s18;s17;d20;s20;s22;s22;s22;s25;s11;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H35ClN4O3
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:12.481
Area:671.386
Solvation:-4.30362
Coulombic:-57.8442
Bond Count [?]
All:34
Single:28
Double:6
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:463.013
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.66
LogP (Chemaxon):2.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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