Chemical ID: 3862273

CCN(CC)CCCN(c1nc(cs1)c2ccccc2)C(=O)C3CCCCC3
Chemical ID:
3862273
Name [?]:
N-(3-diethylaminopropyl)-N-(4-phenylthiazol-2-yl)-cyclohexanecarboxamide
SMILES [?]:
CCN(CC)CCCN(c1nc(cs1)c2ccccc2)C(=O)C3CCCCC3
InChi [?]:
InChI=1/C23H33N3OS/c1-3-25(4-2)16-11-17-26(22(27)20-14-9-6-10-15-20)23-24-21(18-28-23)19-12-7-5-8-13-19/h5,7-8,12-13,18,20H,3-4,6,9-11,14-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,18,26,17,19,25,27,7,16,20,24,28,6,8,13,15,23,12,21,10,11,3,9,22,14/E:(1,2)(3,4)(7,8)(9,10)(12,13)(14,15)/rA:28nCCNCCCCCNCNCCSCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s9;d21;s21;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H33N3OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.891
Area:643.699
Solvation:-3.20148
Coulombic:-28.7964
Bond Count [?]
All:30
Single:24
Double:6
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:399.594
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.22
LogP (Chemaxon):5.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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