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Chemical ID: 6033866
Chemical ID:
6033866
Name [?]:
3,4-dichloro-N-[[4-(isopropylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]-N-(2-methoxyethyl)benzamide
SMILES [?]:
CC(C)NC(=O)Cc1csc(n1)NC(=O)CN(CCOC)C(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C20H24Cl2N4O4S/c1-12(2)23-17(27)9-14-11-31-20(24-14)25-18(28)10-26(6-7-30-3)19(29)13-4-5-15(21)16(22)8-13/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,23,27)(H,24,25,28)
InChi Info:
AuxInfo=1/1/N:1,3,21,25,26,18,19,29,7,16,9,2,24,8,27,28,5,14,22,11,31,30,4,12,13,17,6,15,23,20,10/E:(1,2)/rA:31nCCCNCOCCCSCNNCOCNCCOCCOCCCCCCClCl/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;s19;s20;s17;d22;s22;s24;d25;s26;d27;d24s28;s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24Cl2N4O4S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4124 |
Area: | 722.782 |
Solvation: | -7.65709 |
Coulombic: | -68.4327 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 487.401 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.57 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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