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Chemical ID: 7373853
Chemical ID:
7373853
Name [?]:
2-naphthylcarbamoylmethyl 4-bromobenzoate
SMILES [?]:
c1ccc2cc(ccc2c1)NC(=O)COC(=O)c3ccc(cc3)Br
InChi [?]:
InChI=1/C19H14BrNO3/c20-16-8-5-14(6-9-16)19(23)24-12-18(22)21-17-10-7-13-3-1-2-4-15(13)11-17/h1-11H,12H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,19,23,8,20,22,7,5,14,9,18,4,21,6,12,16,24,11,13,17,15/E:(5,6)(8,9)/rA:24nCCCCCCCCCCNCOCOCOCCCCCCBr/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14BrNO3 |
All Atoms: | 38 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4358 |
Area: | 551.848 |
Solvation: | -3.36044 |
Coulombic: | -42.6709 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 384.223 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.76 |
LogP (Chemaxon): | 4.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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