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Chemical ID: 4702760
Chemical ID:
4702760
Name [?]:
N-[(3,4-dichlorophenyl)methyl]-8-methyl-9-oxo-7-oxa-2,10-diazabicyclo[4.4.0]deca-1,3,5-triene-8-carboxamide
SMILES [?]:
CC1(C(=O)Nc2c(cccn2)O1)C(=O)NCc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C16H13Cl2N3O3/c1-16(15(23)21-13-12(24-16)3-2-6-19-13)14(22)20-8-9-4-5-10(17)11(18)7-9/h2-7H,8H2,1H3,(H,20,22)(H,19,21,23)
InChi Info:
AuxInfo=1/1/N:1,9,8,18,19,10,22,16,17,20,21,7,6,13,3,2,24,23,11,15,5,14,4,12/rA:24cCCCONCCCCCNOCONCCCCCCCClCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s7;s2;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13Cl2N3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1964 |
Area: | 529.989 |
Solvation: | -3.0533 |
Coulombic: | -59.9227 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 366.198 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.63 |
LogP (Chemaxon): | 2.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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