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Chemical ID: 6008881
Chemical ID:
6008881
Name [?]:
N-(cyclopropylmethyl)-N-[(5-methylthiazol-2-yl)carbamoylmethyl]cyclohexanecarboxamide
SMILES [?]:
Cc1cnc(s1)NC(=O)CN(CC2CC2)C(=O)C3CCCCC3
InChi [?]:
InChI=1/C17H25N3O2S/c1-12-9-18-17(23-12)19-15(21)11-20(10-13-7-8-13)16(22)14-5-3-2-4-6-14/h9,13-14H,2-8,10-11H2,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,23,14,15,3,12,10,2,13,18,8,16,5,4,7,11,9,17,6/E:(3,4)(5,6)(7,8)/rA:23nCCCNCSNCOCNCCCCCOCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;s13;s13s14;s11;d16;s16;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25N3O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.52826 |
Area: | 548.152 |
Solvation: | -4.17554 |
Coulombic: | -40.8326 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 335.465 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.66 |
LogP (Chemaxon): | 2.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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