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Chemical ID: 6007149
Chemical ID:
6007149
Name [?]:
N-(3-ethoxypropyl)-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCOCCCN(CC(=O)Nc1nc(cs1)C)C(=O)c2ccccc2
InChi [?]:
InChI=1/C18H23N3O3S/c1-3-24-11-7-10-21(17(23)15-8-5-4-6-9-15)12-16(22)20-18-19-14(2)13-25-18/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,17,2,23,22,24,5,21,25,6,4,8,15,14,20,9,18,12,13,11,7,10,19,3,16/E:(5,6)(8,9)/rA:25nCCOCCCNCCONCNCCSCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s7;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23N3O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.78767 |
Area: | 597.615 |
Solvation: | -5.15271 |
Coulombic: | -50.9344 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 361.46 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.02 |
LogP (Chemaxon): | 1.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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