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Chemical ID: 6008982
Chemical ID:
6008982
Name [?]:
3-chloro-N-(3-methoxypropyl)-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CCCOC)C(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C17H20ClN3O3S/c1-12-11-25-17(19-12)20-15(22)10-21(7-4-8-24-2)16(23)13-5-3-6-14(18)9-13/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,16,21,13,20,22,12,14,24,10,3,2,19,23,8,17,5,25,6,7,11,9,18,15,4/rA:25nCCCSCNNCOCNCCCOCCOCCCCCCCl/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s11;d17;s17;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20ClN3O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.97352 |
Area: | 608.825 |
Solvation: | -5.2471 |
Coulombic: | -50.5622 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 381.878 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.22 |
LogP (Chemaxon): | 2.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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