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Chemical ID: 7093301
Chemical ID:
7093301
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-N-[(4-methylpiperazin-1-yl)carbonylmethyl]methanesulfonamide
SMILES [?]:
CN1CCN(CC1)C(=O)CN(c2ccc(c(c2)Cl)OC)S(=O)(=O)C
InChi [?]:
InChI=1/C15H22ClN3O4S/c1-17-6-8-18(9-7-17)15(20)11-19(24(3,21)22)12-4-5-14(23-2)13(16)10-12/h4-5,10H,6-9,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,24,13,14,3,7,4,6,17,10,12,16,15,8,18,2,5,11,9,22,23,19,21/E:(6,7)(8,9)(21,22)/CRV:24.6/rA:24cCNCCNCCCOCNCCCCCCClOCSOOC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s15;s19;s11;d21;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22ClN3O4S |
All Atoms: | 46 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.62448 |
Area: | 554.335 |
Solvation: | -5.2339 |
Coulombic: | -32.3958 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 375.872 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 1.32 |
LogP (Chemaxon): | 0.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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